SCHEMBL4891798

SCHEMBL4891798

NC(=O)[C@H](CC(=O)O)NC(=O)c1ccc2ccccc2n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
GAA P10253 2/20 0.58
MAPT P10636 1/20 0.58
KDM4C Q9H3R0 1/20 0.57
HDAC8 Q9BY41 1/20 0.52
RAB9A P51151 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
HDAC1 Q13547 2/20 0.49
CTSA P10619 2/20 0.49
MGAM O43451 1/20 0.49
HPGD P15428 2/20 0.47
NPC1 O15118 2/20 0.47
MEN1 O00255 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL6976264 0.91 ALDH1A1 (0.60) ALDH1A1GAAMAPTKDM4CHDAC8
SCHEMBL9272265 0.91 ALDH1A1 (0.60) ALDH1A1GAAMAPTKDM4CHDAC8
SCHEMBL30051464 0.91 ALDH1A1 (0.60) ALDH1A1GAAMAPTKDM4CHDAC8
SCHEMBL7357698 0.91 ALDH1A1 (0.60) ALDH1A1GAAMAPTKDM4CHDAC8
SCHEMBL9230708 0.89 KDM4C (0.59) ALDH1A1GAAMAPTKDM4CHDAC8
SCHEMBL27559596 0.85 ALDH1A1 (0.60) ALDH1A1GAAMAPTKDM4CHDAC8
SCHEMBL6444839 0.84 ALDH1A1 (0.58) ALDH1A1GAAMAPTKDM4CHDAC8
SCHEMBL561849 0.84 ALDH1A1 (0.58) ALDH1A1GAAMAPTKDM4CHDAC8
Hydrochloric Acid SCHEMBL4862500 0.83 ALDH1A1 (0.57) ALDH1A1GAAMAPTKDM4CHDAC8
SCHEMBL8667829 0.82 ALDH1A1 (0.56) ALDH1A1GAAMAPTKDM4CHDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080103311-A1 Retroviral protease inhibitors PHARMACIA CORPORATION (US) 2008-05-01 US disclosed
US-20080103311-A1 Retroviral protease inhibitors PHARMACIA CORPORATION (US) 2008-05-01 US disclosed
US-7312333-B2 Retroviral protease inhibitors PHARMACIA CORPORATION (US) 2007-12-25 US disclosed
US-7312333-B2 Retroviral protease inhibitors PHARMACIA CORPORATION (US) 2007-12-25 US disclosed
US-20060166895-A1 Retroviral protease inhibitors MONSANTO COMPANY (NOW NAMED PHARMACIA CORPORATION, WHICH IS A WHOLLY OWNED SUBSIDIARY OF PFIZER, INC (US) 2006-07-27 US disclosed
US-7026485-B2 Retroviral protease inhibitors G.D. SEARLE & CO. (US) 2006-04-11 US disclosed
US-7026333-B1 Retroviral protease inhibitors G. D. SEARLE & CO. (US) 2006-04-11 US disclosed
US-20060040974-A1 Retroviral protease inhibitors G.D. SEARLE & CO. (US) 2006-02-23 US disclosed
US-20050004230-A1 Retroviral protease inhibitors MONSANTO COMPANY (NOW NAMED PHARMACIA CORPORATION, WHICH IS A WHOLLY OWNED SUBSIDIARY OF PFIZER, INC (US) 2005-01-06 US disclosed
EP-1447398-A1 Retroviral protease inhibitors MONSANTO COMPANY (US) 2004-08-18 EP disclosed
EP-0641325-B1 RETROVIRAL PROTEASE INHIBITORS MONSANTO CO (US) 2001-03-07 EP disclosed
US-6180646-B1 PREVENT REPRODUCTION OF RETROVIRUS MONSANTO COMPANY 2001-01-30 US disclosed
WO-2000002862-A1 RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 2000-01-20 WO disclosed
EP-0957093-A2 Retrovial protease inhibitors MONSANTO COMPANY (US) 1999-11-17 EP disclosed
US-5948790-A VIRICIDES MOSANTO COMPANY (US) 1999-09-07 US disclosed
US-5756534-A Retroviral protease inhibitors MONSANTO COMPANY (US) 1998-05-26 US disclosed
US-5648364-A HETEROCYCLIC PEPTIDE COMPOUNDS AS ENZYME INHIBITORS MONSANTO COMPANY (US) 1997-07-15 US disclosed
US-5643924-A Retroviral protease inhibitors MONSANTO COMPANY OF ST. LOUIS (US) 1997-07-01 US disclosed
EP-0641325-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1995-03-08 EP disclosed
WO-1993023379-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1993-11-25 WO 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 (4 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-20080103311-A1 Retroviral protease inhibitors PREP, DNPEP, SERPINB1 ALDH1A1 2859/4885GAA 126/4885MAPT 2380/4885
US-20060040974-A1 Retroviral protease inhibitors PREP, TMPRSS15, DNPEP ALDH1A1 2626/4885GAA 220/4885MAPT 2215/4885
US-20050004230-A1 Retroviral protease inhibitors MME, PREP, TMPRSS15 ALDH1A1 2763/4885GAA 154/4885MAPT 1818/4885
US-20060166895-A1 Retroviral protease inhibitors MME, PREP, TMPRSS15 ALDH1A1 2763/4885GAA 154/4885MAPT 1818/4885

“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.