SCHEMBL306355

SCHEMBL306355

O=[N+]([O-])c1cc2c(cc1O)CCCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 4/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 3/20 0.46
HPGD P15428 2/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 4/20 0.45
MAPT P10636 4/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GAA P10253 1/20 0.45
PKM P14618 1/20 0.45
ALOX15 P16050 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TBXA2R P21731 1/20 0.42
ALDH5A1 P51649 1/20 0.42
ABAT P80404 1/20 0.42
CA12 O43570 1/20 0.42

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
SCHEMBL29847105 1.00 GPR35 (0.46) GPR35ALDH1A1MAPK1HPGDTP53
SCHEMBL6997080 0.98 GPR35 (0.44) GPR35ALDH1A1MAPK1HPGDTP53
SCHEMBL6999559 0.98 GPR35 (0.44) GPR35ALDH1A1MAPK1HPGDTP53
SCHEMBL1647316 0.96 GPR35 (0.46) GPR35ALDH1A1MAPK1HPGDTP53
SCHEMBL9452619 0.85 MAPT (0.41) GPR35ALDH1A1MAPK1HPGDTP53
SCHEMBL14411992 0.80 SIRT6 (0.43) GPR35ALDH1A1MAPK1HPGDTP53
SCHEMBL9331116 0.80 MAPT (0.54) GPR35ALDH1A1MAPK1HPGDTP53
SCHEMBL24869958 0.79 PNMT (0.54) GPR35ALDH1A1MAPK1HPGDTP53
SCHEMBL28069542 0.79 PNMT (0.54) GPR35ALDH1A1MAPK1HPGDTP53
Hydrochloric Acid SCHEMBL9331794 0.79 MAPT (0.52) GPR35ALDH1A1MAPK1HPGDTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115038707-A Azepine condensed ring compound and medical application thereof 中国医药研究开发中心有限公司 2022-09-09 CN disclosed
US-8093244-B2 Heteroaryl urea derivatives useful for inhibiting CHK1 ICOS CORPORATION (US) 2012-01-10 US disclosed
EP-2330105-A1 Heteroaryl urea derivatives useful for inhibiting CHK1 ICOS Corporation (US) 2011-06-08 EP disclosed
US-20090143357-A1 HETEROARYL UREA DERIVATIVES USEFUL FOR INHIBITING CHK1 ICOS CORPORATION (US) 2009-06-04 US disclosed
EP-1869020-A1 HETEROARYL UREA DERIVATIVES USEFUL FOR INHIBITING CHKl ICOS Corporation (US) 2007-12-26 EP disclosed
EP-1765808-A1 BISARYLUREA DERIVATIVES USEFUL FOR INHIBITING CHK1 ICOS Corporation (US) 2007-03-28 EP disclosed
WO-2006105262-A1 HETEROARYL UREA DERIVATIVES USEFUL FOR INHIBITING CHKl ICOS CORPORATION (US) 2006-10-05 WO disclosed
WO-2006012308-A1 BISARYLUREA DERIVATIVES USEFUL FOR INHIBITING CHK1 ICOS CORPORATION (US) 2006-02-02 WO disclosed
EP-1015437-B1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN PHARMACEUTICALS SCHERING AG (DE) 2003-12-03 EP disclosed
US-6365736-B1 TREATMENT OF NERVOUS SYSTEM DISORDERS, CARDIOVASCULAR DISORDERS AND FOR ACTIVITY AS NO-SYNTHASES (NOS) INHIBITORS. SCHERING AKTIENGESELLSCHAFT (DE) 2002-04-02 US disclosed
EP-1015437-A1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN PHARMACEUTICALS SCHERING AKTIENGESELLSCHAFT (DE) 2000-07-05 EP disclosed
WO-1999012915-A1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN PHARMACEUTICALS SCHERING AKTIENGESELLSCHAFT (DE) 1999-03-18 WO disclosed
EP-0070531-B1 TETRAHYDRONAPHTHOXAZOLES RORER INTERNATIONAL (OVERSEAS) INC. (US) 1988-03-02 EP disclosed
US-4443610-A Bicyclothiazoles USV PHARMACEUTICAL CORPORATION (US) 1984-04-17 US disclosed
US-4440935-A Bicycloimidazoles USV PHARMACEUTICAL CORPORATION (US) 1984-04-03 US disclosed
EP-0070531-A2 Tetrahydronaphthoxazoles RORER INTERNATIONAL (OVERSEAS) INC. (US) 1983-01-26 EP disclosed
US-4368201-A Tetrahydronaphthoxazoles USV PHARMACEUTICAL CORPORATION (US) 1983-01-11 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 (1 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-20090143357-A1 HETEROARYL UREA DERIVATIVES USEFUL FOR INHIBITING CHK1 CHEK1, CHEK2, PCNA GPR35 4118/4885ALDH1A1 3398/4885MAPK1 2909/4885

“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.