SCHEMBL208161

SCHEMBL208161

Cc1ccc(C(=O)O)c(O)c1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MMP2 P08253 1/20 0.48
SELL P14151 1/20 0.48
SELP P16109 1/20 0.48
GRM1 Q13255 1/20 0.47
GABRP O00591 2/20 0.46
GABRD O14764 2/20 0.46
GABRA1 P14867 2/20 0.46
GABRB1 P18505 2/20 0.46
GABRG2 P18507 2/20 0.46
GABRB3 P28472 2/20 0.46
GABRA5 P31644 2/20 0.46
GABRA3 P34903 2/20 0.46
GABRA2 P47869 2/20 0.46
GABRB2 P47870 2/20 0.46
GABRA4 P48169 2/20 0.46
GABRE P78334 2/20 0.46

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
SCHEMBL17481988 0.83 MAPT (0.38) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL1005989 0.83 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10MMP2
SCHEMBL2930434 0.83 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10GABRP
SCHEMBL29860864 0.82 SELL (0.56) KDM4EALDH1A1HPGDHSD17B10MMP2
SCHEMBL26963264 0.82 SELL (0.56) KDM4EALDH1A1HPGDHSD17B10MMP2
SCHEMBL30374425 0.81 KDM4E (0.48) KDM4EALDH1A1HPGDHSD17B10GRM1
SCHEMBL1457096 0.81 KDM4E (0.48) KDM4EALDH1A1HPGDHSD17B10GRM1
SCHEMBL30083685 0.80 ALDH1A1 (0.65) KDM4EALDH1A1HPGDHSD17B10MMP2
SCHEMBL857301 0.80 ALDH1A1 (0.65) KDM4EALDH1A1HPGDHSD17B10MMP2
SCHEMBL28950924 0.79 KDM4E (0.52) KDM4EALDH1A1HPGDHSD17B10GABRP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2264031-B1 A NOVEL BENZOXAZINE BENZIMIDAZOLE DERIVATIVE, A PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND A USE THEREOF DAE WOONG PHARMA (KR) 2015-04-15 EP disclosed
CN-104220422-A Ep1 receptor ligands ESTEVE LABOR DR 2014-12-17 CN disclosed
CN-104030987-A DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO SA 2014-09-10 CN disclosed
US-8362012-B2 Benzoxazine benzimidazole derivative, a pharmaceutical composition comprising the same, and a use thereof DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2013-01-29 US disclosed
CN-102574786-A Dihydroorotate dehydrogenase inhibitors MERCK SERONO SA 2012-07-11 CN disclosed
US-8088760-B2 Benzoxazole carboxamide inhibitors of poly(ADP-ribose)polymerase (PARP) BIOMARIN PHARMACEUTICAL INC. (US) 2012-01-03 US disclosed
US-20110086849-A1 NOVEL BENZOXAZINE BENZIMIDAZOLE DERIVATIVE, A PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND AUSE THEREOF DAEWOONG PHARMACEUTICALS CO., LTD. (KR) 2011-04-14 US disclosed
EP-2264031-A2 A NOVEL BENZOXAZINE BENZIMIDAZOLE DERIVATIVE, A PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND A USE THEREOF DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2010-12-22 EP disclosed
EP-2247600-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) Lead Therapeutics, Inc. (US) 2010-11-10 EP disclosed
US-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION 2010-07-15 US disclosed
WO-2009099736-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-13 WO disclosed
US-20090197863-A1 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-06 US disclosed
EP-1912992-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SmithKline Beecham Corporation (US) 2008-04-23 EP disclosed
WO-2007017262-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 WO disclosed
US-6303593-B1 FOR THERAPY HUMAN IMMUNODEFICIENCY VIRUS INFECTION, AQUIRED IMMUNODEFICIENCY SYNDROME (AIDS), INFLAMMATORY AND IMMUNOREGULATORY DISORDER OR DISEASE, ASTHMA, ALLERGIC RHINITIS, DERMATITIS, CONJUNCTIVITIS, ATHEROSCLEROSIS MERCK & CO., INC. 2001-10-16 US disclosed
WO-2000051608-A1 3-THIENYL AND 3-FURANYL PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-09-08 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 (3 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-20090197863-A1 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) PARP1, PARP2, PARP11 KDM4E 1650/4885ALDH1A1 398/4885HPGD 422/4885
US-20110086849-A1 NOVEL BENZOXAZINE BENZIMIDAZOLE DERIVATIVE, A PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND AUSE THEREOF TRPV1, HRH4, TRPV4 KDM4E 799/4885ALDH1A1 333/4885HPGD 1485/4885
US-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS XDH, GPR84, GPR88 KDM4E 4566/4885ALDH1A1 600/4885HPGD 368/4885

“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.