SCHEMBL3533050

SCHEMBL3533050

COc1cc(C(=O)N2Cc3ccc(C(=O)NCc4ccc(OC(F)(F)F)cc4)n3Cc3ccccc32)ccc1-c1ccccc1C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 5/20 0.44
NAMPT P43490 1/20 0.42
THRB P10828 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
LMNA P02545 5/20 0.38
EPHX2 P34913 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
HTR2C P28335 1/20 0.37
AVPR1A P37288 2/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36

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
SCHEMBL3532388 0.94 NAMPT (0.44) AVPR2NAMPTLMNAEPHX2NR1H4
SCHEMBL3534697 0.93 AVPR2 (0.47) AVPR2THRBLMNAAVPR1ATP53
SCHEMBL3536010 0.92 AVPR2 (0.47) AVPR2THRBLMNAAVPR1ATP53
SCHEMBL3533374 0.91 AVPR2 (0.47) AVPR2THRBLMNAAVPR1ATP53
SCHEMBL3537560 0.91 AVPR2 (0.50) AVPR2THRBROCK2ROCK1LMNA
SCHEMBL3535538 0.89 MAPT (0.47) AVPR2THRBROCK2ROCK1LMNA
SCHEMBL3533432 0.89 AVPR2 (0.47) AVPR2NAMPTTHRBROCK2ROCK1
SCHEMBL3536480 0.88 AVPR2 (0.48) AVPR2THRBROCK2ROCK1LMNA
SCHEMBL5891149 0.88 AVPR2 (0.46) AVPR2NAMPTTHRBROCK2ROCK1
SCHEMBL3532196 0.88 LMNA (0.46) AVPR2THRBLMNAAVPR1ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691848-B2 Pyrrolobenzodiazepine arylcarboxamides and derivatives thereof as follicle-stimulating hormone receptor antagonists WYETH (US) 2010-04-06 US claimed
US-20060199806-A1 Pyrrolobenzodiazepine arylcarboxamides and derivatives thereof as follicle-stimulating hormone receptor antagonists WYETH (US) 2006-09-07 US claimed
US-7691848-B2 Pyrrolobenzodiazepine arylcarboxamides and derivatives thereof as follicle-stimulating hormone receptor antagonists WYETH (US) 2010-04-06 US disclosed
US-20060199806-A1 Pyrrolobenzodiazepine arylcarboxamides and derivatives thereof as follicle-stimulating hormone receptor antagonists WYETH (US) 2006-09-07 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-20060199806-A1 Pyrrolobenzodiazepine arylcarboxamides and derivatives thereof as follicle-stimulating hormone receptor antagonists FSHR, GNRHR, LHCGR AVPR2 31/4885NAMPT 3211/4885THRB 65/4885

“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.