SCHEMBL3535538

SCHEMBL3535538

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
AVPR2 P30518 5/20 0.46
AVPR1A P37288 2/20 0.44
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
TP53 P04637 2/20 0.41
THRB P10828 1/20 0.41
LMNA P02545 3/20 0.39
IDO1 P14902 1/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL3533374 0.94 AVPR2 (0.47) MAPTAVPR2AVPR1ATP53THRB
SCHEMBL3537560 0.94 AVPR2 (0.50) MAPTAVPR2AVPR1AROCK2ROCK1
SCHEMBL3534697 0.93 AVPR2 (0.47) MAPTAVPR2AVPR1ATP53THRB
SCHEMBL3536010 0.93 AVPR2 (0.47) MAPTAVPR2AVPR1ATP53THRB
SCHEMBL3534087 0.93 AVPR2 (0.45) MAPTAVPR2AVPR1AROCK2ROCK1
SCHEMBL3533941 0.92 AVPR2 (0.43) MAPTAVPR2AVPR1ATP53THRB
SCHEMBL3536480 0.91 AVPR2 (0.48) MAPTAVPR2AVPR1AROCK2ROCK1
SCHEMBL5891149 0.91 AVPR2 (0.46) MAPTAVPR2AVPR1AROCK2ROCK1
SCHEMBL3533432 0.90 AVPR2 (0.47) MAPTAVPR2AVPR1AROCK2ROCK1
SCHEMBL3531258 0.90 THRB (0.48) MAPTAVPR2AVPR1AROCK2ROCK1

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 MAPT 4643/4885AVPR2 31/4885AVPR1A 63/4885

“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.