SCHEMBL3533910

SCHEMBL3533910

COc1cc(CNC(=O)c2ccc3n2Cc2ccccc2N(C(=O)c2ccc(-c4ccccc4C)c(C)c2)C3)cc(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.45
NAMPT P43490 2/20 0.44
AVPR2 P30518 5/20 0.43
AVPR1A P37288 3/20 0.42
OXTR P30559 1/20 0.39
HTR7 P34969 1/20 0.38
WDR5 P61964 3/20 0.38
TSHR P16473 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
SCHEMBL3533432 0.95 AVPR2 (0.47) LMNANAMPTAVPR2AVPR1A
SCHEMBL3532534 0.94 LMNA (0.47) LMNANAMPTAVPR2AVPR1A
SCHEMBL3532196 0.94 LMNA (0.46) LMNAAVPR2AVPR1AHTR7
SCHEMBL3535291 0.90 AVPR2 (0.45) LMNAAVPR2AVPR1A
SCHEMBL3532263 0.89 AVPR2 (0.44) LMNAAVPR2AVPR1A
SCHEMBL3534697 0.89 AVPR2 (0.47) LMNAAVPR2AVPR1AHTR7
SCHEMBL3531924 0.88 AVPR2 (0.43) LMNAAVPR2AVPR1A
SCHEMBL3535842 0.88 AVPR2 (0.43) LMNAAVPR2AVPR1A
SCHEMBL3536119 0.88 NAMPT (0.44) LMNANAMPTAVPR2AVPR1A
SCHEMBL3537560 0.88 AVPR2 (0.50) LMNAAVPR2AVPR1A

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 LMNA 4776/4885NAMPT 3211/4885AVPR2 31/4885

“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.