SCHEMBL688951

SCHEMBL688951

CCOC(=O)c1nc2scc(CBr)c2c(=O)[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.58
HPGD P15428 6/20 0.58
KDM4E B2RXH2 5/20 0.58
GAA P10253 3/20 0.58
POLB P06746 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
TSHR P16473 2/20 0.52
HSD17B10 Q99714 1/20 0.52
HTT P42858 2/20 0.40
RECQL P46063 1/20 0.40
MAPT P10636 6/20 0.39
LMNA P02545 4/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ATM Q13315 1/20 0.39
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
MAPK1 P28482 2/20 0.38
NTSR1 P30989 1/20 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
SCHEMBL941078 0.89 ALDH1A1 (0.60) ALDH1A1HPGDKDM4EGAAPOLB
SCHEMBL14281845 0.88 ALDH1A1 (0.58) ALDH1A1HPGDKDM4EGAAPOLB
SCHEMBL14307140 0.87 ALDH1A1 (0.55) ALDH1A1HPGDKDM4EGAAPOLB
Hydrochloric Acid SCHEMBL4930391 0.87 ALDH1A1 (0.57) ALDH1A1HPGDKDM4EGAAPOLB
SCHEMBL4937367 0.87 HPGD (0.57) ALDH1A1HPGDKDM4EGAAPOLB
SCHEMBL14281844 0.85 ALDH1A1 (0.55) ALDH1A1HPGDKDM4EGAAPOLB
SCHEMBL689004 0.85 ALDH1A1 (0.55) ALDH1A1HPGDKDM4EGAAPOLB
SCHEMBL167069 0.85 ALDH1A1 (0.64) ALDH1A1HPGDKDM4EGAAPOLB
SCHEMBL12102144 0.83 ALDH1A1 (0.56) ALDH1A1HPGDKDM4EGAAPOLB
SCHEMBL688393 0.83 ALDH1A1 (0.58) ALDH1A1HPGDKDM4EGAAPOLB

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9475822-B2 Substituted 2- amidoquinazol-4-ones as matrix metalloproteinase-13 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-25 US disclosed
US-9212149-B2 Substituted 2-amidoquinazol-4-ones as matrix metalloproteinase-13 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-12-15 US disclosed
US-20150329556-A1 SUBSTITUTED 2- AMIDOQUINAZOL-4-ONES AS MATRIX METALLOPROTEINASE-13 INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2015-11-19 US disclosed
EP-1740551-B9 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF AS AN MMP-13 INHIBITOR TAKEDA PHARMACEUTICAL (JP) 2013-01-16 EP disclosed
EP-1740551-B9 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF AS AN MMP-13 INHIBITOR TAKEDA PHARMACEUTICAL (JP) 2013-01-16 EP disclosed
EP-1740551-B1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF AS AN MMP-13 INHIBITOR TAKEDA PHARMACEUTICAL (JP) 2012-09-12 EP disclosed
EP-1953148-B1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2012-02-29 EP disclosed
US-7915267-B2 Heterocyclic amide compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-29 US disclosed
US-20110009435-A1 HETERO BICYCLIC CARBOXAMIDE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER, INC. (US) 2011-01-13 US disclosed
US-20110009435-A1 HETERO BICYCLIC CARBOXAMIDE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER, INC. (US) 2011-01-13 US disclosed
US-20110009435-A1 HETERO BICYCLIC CARBOXAMIDE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER, INC. (US) 2011-01-13 US disclosed
EP-2170843-A1 HETERO BICYCLIC CARBOXAMIDE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS Pfizer Inc. (US) 2010-04-07 EP disclosed
US-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 US disclosed
WO-2008149191-A1 HETERO BICYCLIC CARBOXAMIDE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC. (US) 2008-12-11 WO disclosed
WO-2008149191-A1 HETERO BICYCLIC CARBOXAMIDE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC. (US) 2008-12-11 WO disclosed
EP-1953148-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2008-08-06 EP disclosed
US-20080027050-A1 Heterocyclic Amide Compound and Use Thereof as an Mmp-13 Inhibitor(Amended Ex Officio) TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-31 US disclosed
EP-1740551-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF AS AN MMP-13 INHIBITOR Takeda Pharmaceutical Company Limited (JP) 2007-01-10 EP disclosed
WO-2005105760-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF AS AN MMP-13 INHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-11-10 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-20150329556-A1 SUBSTITUTED 2- AMIDOQUINAZOL-4-ONES AS MATRIX METALLOPROTEINASE-13 INHIBITORS MMP13, MMP14, MMP25 ALDH1A1 1554/4885HPGD 160/4885KDM4E 913/4885
US-20110009435-A1 HETERO BICYCLIC CARBOXAMIDE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS CNR2, CYP2C9, CYP2C8 ALDH1A1 944/4885HPGD 135/4885KDM4E 1710/4885
US-20080027050-A1 Heterocyclic Amide Compound and Use Thereof as an Mmp-13 Inhibitor(Amended Ex Officio) MMP13, HDAC11, HDAC1 ALDH1A1 1042/4885HPGD 96/4885KDM4E 1156/4885
US-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF MMP2, MMP9, MMP1 ALDH1A1 423/4885HPGD 131/4885KDM4E 599/4885

“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.