SCHEMBL3534477

SCHEMBL3534477

Cc1ccccc1-c1ccc(C(=O)N2Cc3ccc(C(=O)NCc4ccc(N(C)C)cc4)n3Cc3ccccc32)cc1C

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 4/20 0.42
TP53 P04637 2/20 0.42
THRB P10828 1/20 0.42
AVPR2 P30518 9/20 0.42
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 1/20 0.38
PPARG P37231 1/20 0.38

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
SCHEMBL3536480 0.93 AVPR2 (0.48) AVPR1ATP53THRBAVPR2LMNA
SCHEMBL3532263 0.92 AVPR2 (0.44) AVPR1ATP53THRBAVPR2LMNA
SCHEMBL3535291 0.92 AVPR2 (0.45) AVPR1AAVPR2LMNA
SCHEMBL3535842 0.91 AVPR2 (0.43) AVPR1AAVPR2LMNA
SCHEMBL3531924 0.91 AVPR2 (0.43) AVPR1ATP53AVPR2LMNA
SCHEMBL3535917 0.91 AVPR2 (0.43) AVPR1ATP53AVPR2LMNAMAPT
SCHEMBL3533941 0.91 AVPR2 (0.43) AVPR1ATP53THRBAVPR2LMNA
SCHEMBL3532196 0.89 LMNA (0.46) AVPR1ATP53THRBAVPR2LMNA
SCHEMBL5890736 0.89 AVPR2 (0.43) AVPR1AAVPR2LMNAALDH1A1
SCHEMBL3533195 0.87 AVPR2 (0.43) AVPR1ATP53THRBAVPR2LMNA

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 AVPR1A 63/4885TP53 3737/4885THRB 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.