SCHEMBL3533000

SCHEMBL3533000

Cc1ccccc1-c1ccc(C(=O)N2Cc3ccc(C(=O)NCCCCc4ccccc4)n3Cc3ccccc32)cc1C

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 7/20 0.42
AVPR1A P37288 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
NAMPT P43490 3/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HSP90AA1 P07900 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
SCHEMBL3536824 0.98 AVPR2 (0.43) AVPR2AVPR1ASMN1; SMN2HPGDKDM4E
SCHEMBL3537184 0.93 AVPR2 (0.47) AVPR2AVPR1ASMN1; SMN2HPGDKDM4E
SCHEMBL3532148 0.90 AVPR2 (0.48) AVPR2AVPR1AKDM4EPOLBNAMPT
SCHEMBL3533015 0.90 AVPR2 (0.43) AVPR2AVPR1APOLBNPC1RAB9A
SCHEMBL3535291 0.89 AVPR2 (0.45) AVPR2AVPR1A
SCHEMBL3533308 0.89 AVPR2 (0.42) AVPR2AVPR1ANAMPT
SCHEMBL3533907 0.88 NAMPT (0.44) AVPR2AVPR1ASMN1; SMN2HPGDNAMPT
SCHEMBL3536084 0.88 AVPR2 (0.42) AVPR2AVPR1ANAMPTNPC1RAB9A
SCHEMBL5785243 0.88 AVPR1A (0.45) AVPR2AVPR1ANAMPT
SCHEMBL3536119 0.87 NAMPT (0.44) AVPR2AVPR1ASMN1; SMN2NAMPTNPC1

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 31/4885AVPR1A 63/4885SMN1; SMN2 4879/4885

“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.