SCHEMBL4821188

SCHEMBL4821188

CCCC1Oc2ccccc2NC1=O

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.58
ALDH1A1 P00352 3/20 0.53
HSD17B10 Q99714 2/20 0.53
MAPK1 P28482 2/20 0.53
HPGD P15428 1/20 0.52
BRD4 O60885 1/20 0.52
USP2 O75604 1/20 0.52
GAA P10253 1/20 0.50
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
THRB P10828 1/20 0.49
TSHR P16473 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL5670690 0.91 PARP1 (0.55) PARP1ALDH1A1HSD17B10MAPK1HPGD
SCHEMBL5670684 0.88 HSD17B10 (0.53) PARP1ALDH1A1HSD17B10MAPK1HPGD
SCHEMBL3249363 0.87 PARP1 (0.62) PARP1ALDH1A1HSD17B10MAPK1HPGD
SCHEMBL3641415 0.85 PARP1 (0.56) PARP1ALDH1A1HSD17B10MAPK1HPGD
SCHEMBL5671330 0.84 PARP1 (0.54) PARP1ALDH1A1HSD17B10MAPK1HPGD
SCHEMBL28100435 0.84 MAPK1 (0.58) PARP1ALDH1A1HSD17B10MAPK1HPGD
SCHEMBL5670577 0.84 L3MBTL1 (0.58) PARP1ALDH1A1HSD17B10MAPK1HPGD
SCHEMBL5671433 0.83 BRD4 (0.55) PARP1ALDH1A1HSD17B10MAPK1HPGD
SCHEMBL13026780 0.83 TSHR (0.61) PARP1ALDH1A1HSD17B10MAPK1HPGD
SCHEMBL9155928 0.81 PARP1 (0.51) PARP1ALDH1A1HSD17B10MAPK1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365064-B2 Benzoxazine and benzothiazine derivatives and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2008-04-29 US disclosed
EP-0980362-B1 SUBSTITUTED HETEROCYCLES AND THEIR USE IN MEDICAMENTS SCHERING AG (DE) 2006-08-16 EP disclosed
US-20050113368-A1 Benzoxazine and benzothiazine derivatives and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2005-05-26 US disclosed
EP-1436268-A1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dr. Reddy's Laboratories Ltd. (IN) 2004-07-14 EP disclosed
WO-2003033481-A1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND PARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LTD. (IN) 2003-04-24 WO disclosed
US-6191127-B1 ANTIINFLAMMATORY AGENTS, AUTOIMMUNE DISEASES, CARDIOVASCULAR DISORDERS, NERVOUS SYSTEM DISORDERS SCHERING AKTIENGESELLSCHAFT (DE) 2001-02-20 US disclosed
EP-0980362-A1 SUBSTITUTED HETEROCYCLES AND THEIR USE IN MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 2000-02-23 EP disclosed
WO-1998050372-A1 SUBSTITUTED HETEROCYCLES AND THEIR USE IN MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 1998-11-12 WO disclosed
EP-0415642-B1 Glutarimides ROHM & HAAS (US) 1995-12-06 EP 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-20050113368-A1 Benzoxazine and benzothiazine derivatives and pharmaceutical compositions containing them CYP3A5, HBZ, CYP4Z1 PARP1 4648/4885ALDH1A1 1644/4885HSD17B10 60/4885

“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.