SCHEMBL555749

SCHEMBL555749

Cn1c(=O)c2c(nc(Cl)n2Cc2cccc([N+](=O)[O-])c2)n(C)c1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2C9 P11712 1/20 0.64
CYP2C19 P33261 1/20 0.64
HTT P42858 2/20 0.61
ALDH1A1 P00352 6/20 0.53
HIF1A Q16665 2/20 0.53
HPGD P15428 1/20 0.53
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
TSHR P16473 3/20 0.52
TP53 P04637 2/20 0.52
ALOX15 P16050 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
LMNA P02545 2/20 0.51
MAPT P10636 2/20 0.50
POLB P06746 1/20 0.49
NOX4 Q9NPH5 1/20 0.49
HSD17B10 Q99714 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28752110 0.91 HTT (0.52) SMN1; SMN2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL555429 0.88 HTT (0.68) SMN1; SMN2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL17786245 0.83 SMN1; SMN2 (0.71) SMN1; SMN2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL555173 0.83 HTT (0.78) SMN1; SMN2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL16122930 0.82 SMN1; SMN2 (0.69) SMN1; SMN2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL556399 0.82 SMN1; SMN2 (0.69) SMN1; SMN2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL16028653 0.82 ALDH1A1 (0.76) SMN1; SMN2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL23297578 0.81 SMN1; SMN2 (0.47) SMN1; SMN2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL556289 0.80 SMN1; SMN2 (0.65) SMN1; SMN2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL27582979 0.79 SMN1; SMN2 (0.59) SMN1; SMN2CYP1A2CYP3A4CYP2C9CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140057901-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2014-02-27 US disclosed
EP-2298769-B1 Xanthin derivatives, their production and utilisation as medicine BOEHRINGER INGELHEIM PHARMA (DE) 2013-10-30 EP disclosed
US-20130165428-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2013-06-27 US disclosed
EP-1953162-B9 Xanthin derivatives, their production and utilisation as medicine BOEHRINGER INGELHEIM PHARMA (DE) 2012-10-31 EP disclosed
US-20120252782-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions BOEHRINGER INGELHEIM PHARMA GMBH AND CO. KG (DE) 2012-10-04 US disclosed
US-20120252783-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA & CO. KG (DE) 2012-10-04 US disclosed
EP-1953162-B1 Xanthin derivatives, their production and utilisation as medicine BOEHRINGER INGELHEIM PHARMA (DE) 2012-06-20 EP disclosed
US-20120040982-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA & CO. KG (DE) 2012-02-16 US disclosed
US-20120035158-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions BOEHRINGER INGELHEIM PHARMA GMBH AND CO. KG (DE) 2012-02-09 US disclosed
US-20110144095-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA & CO. KG (DE) 2011-06-16 US disclosed
US-20100173916-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-08 US disclosed
EP-1757606-B1 Xanthinderivatives for use as medical agents and the preparation thereof BOEHRINGER INGELHEIM PHARMA (DE) 2009-05-06 EP disclosed
EP-1953162-A1 Xanthin derivatives, their production and utilisation as medicine Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2008-08-06 EP disclosed
EP-1757606-A1 Xanthinderivatives, preparation thereof and their use as medical agents Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2007-02-28 EP disclosed
EP-1368349-B1 XANTHINE DERIVATIVE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2007-02-14 EP disclosed
US-20060247226-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS HIMMELSBACH FRANK 2006-11-02 US disclosed
US-20060205711-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-09-14 US disclosed
US-20040087587-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-06 US disclosed
US-20040077645-A1 Dipeptidyl aminopeptidase inhibitors; diabetes mellitus, arthritis, obesity, allograft transplantation and osteoporosis treatment BOEHRINGER INGELHEIM PHARMA GMBH & CO KG (DE) 2004-04-22 US disclosed
US-20020198205-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-12-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110144095-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 SMN1; SMN2 2662/4885CYP1A2 219/4885CYP3A4 17/4885
US-20040087587-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 SMN1; SMN2 2484/4885CYP1A2 238/4885CYP3A4 14/4885
US-20130165428-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP3, DPP7 SMN1; SMN2 2485/4885CYP1A2 203/4885CYP3A4 17/4885
US-20120252783-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 SMN1; SMN2 2662/4885CYP1A2 219/4885CYP3A4 17/4885
US-20100173916-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions DPP4, DPP3, DPP7 SMN1; SMN2 2485/4885CYP1A2 203/4885CYP3A4 17/4885
US-20060205711-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 SMN1; SMN2 2485/4885CYP1A2 203/4885CYP3A4 17/4885
US-20120035158-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions DPP4, DPP3, DPP7 SMN1; SMN2 2485/4885CYP1A2 203/4885CYP3A4 17/4885
US-20060247226-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP3, DPP7 SMN1; SMN2 2485/4885CYP1A2 203/4885CYP3A4 17/4885
US-20120252782-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions DPP4, DPP3, DPP7 SMN1; SMN2 2485/4885CYP1A2 203/4885CYP3A4 17/4885
US-20140057901-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP3, DPP7 SMN1; SMN2 2662/4885CYP1A2 219/4885CYP3A4 17/4885
US-20020198205-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 SMN1; SMN2 2484/4885CYP1A2 238/4885CYP3A4 14/4885
US-20120040982-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 SMN1; SMN2 2662/4885CYP1A2 219/4885CYP3A4 17/4885
US-20040077645-A1 Dipeptidyl aminopeptidase inhibitors; diabetes mellitus, arthritis, obesity, allograft transplantation and osteoporosis treatment DPP4, DPP3, DPP7 SMN1; SMN2 4117/4885CYP1A2 828/4885CYP3A4 86/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.