SCHEMBL3533907

SCHEMBL3533907

Cc1ccccc1-c1ccc(C(=O)N2Cc3ccc(C(=O)NCCc4cccc(Cl)c4)n3Cc3ccccc32)cc1C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.44
AVPR2 P30518 6/20 0.41
HTR7 P34969 1/20 0.41
AVPR1A P37288 3/20 0.41
LMNA P02545 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ROCK2 O75116 1/20 0.40
THRB P10828 1/20 0.40
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
TP53 P04637 1/20 0.37

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
SCHEMBL3539415 0.93 AVPR2 (0.44) NAMPTAVPR2HTR7AVPR1ALMNA
SCHEMBL3536084 0.92 AVPR2 (0.42) NAMPTAVPR2AVPR1ANPC1RAB9A
SCHEMBL3533015 0.89 AVPR2 (0.43) AVPR2AVPR1ANPC1RAB9ATHRB
SCHEMBL3533000 0.88 AVPR2 (0.42) NAMPTAVPR2AVPR1ANPC1RAB9A
SCHEMBL3533308 0.88 AVPR2 (0.42) NAMPTAVPR2AVPR1AROCK2
SCHEMBL3536824 0.88 AVPR2 (0.43) NAMPTAVPR2AVPR1ANPC1RAB9A
SCHEMBL3531602 0.87 NAMPT (0.47) NAMPTAVPR2AVPR1ALMNANPC1
SCHEMBL3532079 0.87 AVPR2 (0.45) NAMPTAVPR2LMNAALDH1A1SMN1; SMN2
SCHEMBL3536119 0.86 NAMPT (0.44) NAMPTAVPR2AVPR1ALMNANPC1
SCHEMBL3533941 0.86 AVPR2 (0.43) AVPR2AVPR1ALMNATHRBMAPT

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 NAMPT 3211/4885AVPR2 31/4885HTR7 251/4885

“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.