SCHEMBL556070

SCHEMBL556070

O=C1[CH]Oc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.48
ALOX15 P16050 1/20 0.48
KDM4E B2RXH2 3/20 0.44
LMNA P02545 2/20 0.44
CDC25B P30305 2/20 0.42
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
IDO1 P14902 2/20 0.42
AKT1 P31749 1/20 0.42
SNCA P37840 1/20 0.42
MAP2K1 Q02750 1/20 0.42
PIN1 Q13526 1/20 0.42
EHMT2 Q96KQ7 1/20 0.42
NSD1 Q96L73 1/20 0.42
EHMT1 Q9H9B1 1/20 0.42
PKM P14618 1/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
POLB P06746 3/20 0.38

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
SCHEMBL9541079 0.86 PKM (0.48) TDP1ALOX15KDM4ELMNACDC25B
SCHEMBL2500588 0.70 TDP1 (0.72) TDP1ALOX15KDM4ELMNACDC25B
SCHEMBL5841466 0.70 DRD2 (0.37) TDP1ALOX15KDM4ELMNAPKM
SCHEMBL7485483 0.67 MAOB (0.41) TDP1ALOX15KDM4ELMNAMAOA
SCHEMBL7485477 0.67 PKM (0.48) TDP1ALOX15CDC25BMAOAMAOB
Phthalic Anhydride SCHEMBL380499 0.66 TDP1 (1.00) TDP1ALOX15KDM4ELMNACDC25B
Phthalic Anhydride SCHEMBL220 0.66 TDP1 (1.00) TDP1ALOX15KDM4ELMNACDC25B
Phthalic Anhydride SCHEMBL29356227 0.66 TDP1 (1.00) TDP1ALOX15KDM4ELMNACDC25B
SCHEMBL209097 0.65 MAOB (0.43) TDP1ALOX15KDM4ELMNACDC25B
SCHEMBL3104230 0.65 PKM (0.52) TDP1ALOX15CDC25BMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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 claimed
US-20110144083-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-16 US claimed
EP-1635839-B1 BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONES AND THEIR USE IN THERAPY ABBOTT HEALTHCARE PRODUCTS BV (NL) 2010-09-01 EP claimed
US-20100173916-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-08 US claimed
US-7569574-B2 Purine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-08-04 US claimed
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2009-06-04 US claimed
US-7524853-B2 Compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2009-04-28 US claimed
US-7465739-B2 Compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2008-12-16 US claimed
WO-1998033382-A1 FUNGICIDAL COMPOSITIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-08-06 WO claimed
WO-1998023155-A1 ARTHROPODICIDAL AND FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-06-04 WO claimed
EP-0836384-A1 ARTHROPODICIDAL AND FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-04-22 EP claimed
EP-0825992-A1 FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-03-04 EP claimed
EP-0825988-A1 FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-03-04 EP claimed
WO-1998005652-A2 ARTHROPODICIDAL AND FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-02-12 WO claimed
WO-1997000612-A1 ARTHROPODICIDAL AND FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-01-09 WO claimed
WO-1996036616-A1 FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-11-21 WO claimed
WO-1996036229-A1 FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-11-21 WO claimed
WO-1996036633-A1 FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-11-21 WO claimed

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

For each of this compound's patents that has machine-readable text (6 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-20110144083-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions DPP4, DPP3, DPP7 TDP1 192/4885ALOX15 3243/4885KDM4E 1166/4885
US-20130165428-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP3, DPP7 TDP1 192/4885ALOX15 3243/4885KDM4E 1166/4885
US-20100173916-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions DPP4, DPP3, DPP7 TDP1 192/4885ALOX15 3243/4885KDM4E 1166/4885
US-20120035158-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions DPP4, DPP3, DPP7 TDP1 192/4885ALOX15 3243/4885KDM4E 1166/4885
US-20120252782-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions DPP4, DPP3, DPP7 TDP1 192/4885ALOX15 3243/4885KDM4E 1166/4885
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use FLT1, FLT4, NAT1 TDP1 1360/4885ALOX15 879/4885KDM4E 883/4885

“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.