SCHEMBL3553283

SCHEMBL3553283

Cc1cccc(C)c1-c1ccc(C(=O)N2Cc3ccc(C(=O)NCc4cccnc4)n3Cc3ccccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 5/20 0.44
NAMPT P43490 1/20 0.43
AVPR2 P30518 4/20 0.42
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 4/20 0.41
TSHR P16473 2/20 0.40
VNN1 O95497 1/20 0.40
HTT P42858 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
MAPK10 P53779 1/20 0.39
CASP7 P55210 1/20 0.39
OXTR P30559 1/20 0.39
MAPT P10636 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
SCHEMBL3556720 0.92 AVPR1A (0.51) AVPR1ANAMPTAVPR2LMNASMN1; SMN2
SCHEMBL3555412 0.91 AVPR1A (0.43) AVPR1ANAMPTAVPR2LMNASMN1; SMN2
SCHEMBL3553460 0.90 AVPR1A (0.52) AVPR1ANAMPTAVPR2LMNASMN1; SMN2
SCHEMBL3554592 0.90 NAMPT (0.52) AVPR1ANAMPTAVPR2LMNASMN1; SMN2
SCHEMBL3559955 0.90 NAMPT (0.41) NAMPTLMNASMN1; SMN2ALDH1A1TSHR
SCHEMBL3551142 0.90 AVPR1A (0.47) AVPR1ANAMPTAVPR2LMNASMN1; SMN2
SCHEMBL3551764 0.90 AVPR1A (0.50) AVPR1ANAMPTAVPR2LMNASMN1; SMN2
SCHEMBL3552829 0.89 AVPR1A (0.45) AVPR1ANAMPTAVPR2LMNASMN1; SMN2
SCHEMBL3554440 0.89 USP2 (0.47) AVPR1ANAMPTLMNASMN1; SMN2ALDH1A1
SCHEMBL3550872 0.88 AVPR1A (0.46) AVPR1ANAMPTAVPR2LMNASMN1; SMN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678787-B2 Pyrrolobenzodiazepine pyridine carboxamides and derivatives as follicle-stimulating hormone receptor antagonists WYETH (US) 2010-03-16 US claimed
US-20060287522-A1 Pyrrolobenzodiazepine pyridine carboxamides and derivatives as follicle-stimulating hormone receptor antagonists WYETH (US) 2006-12-21 US claimed
US-7678787-B2 Pyrrolobenzodiazepine pyridine carboxamides and derivatives as follicle-stimulating hormone receptor antagonists WYETH (US) 2010-03-16 US disclosed
EP-1893615-A1 PYRROLOBENZODIAZEPINE PYRIDINE CARBOXAMIDES AND DERIVATIVES AS FOLLICLE-STIMULATING HORMONE RECEPTOR ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2008-03-05 EP disclosed
US-20060287522-A1 Pyrrolobenzodiazepine pyridine carboxamides and derivatives as follicle-stimulating hormone receptor antagonists WYETH (US) 2006-12-21 US disclosed
WO-2006135687-A1 PYRROLOBENZODIAZEPINE PYRIDINE CARBOXAMIDES AND DERIVATIVES AS FOLLICLE-STIMULATING HORMONE RECEPTOR ANTAGONISTS WYETH (US) 2006-12-21 WO 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-20060287522-A1 Pyrrolobenzodiazepine pyridine carboxamides and derivatives as follicle-stimulating hormone receptor antagonists FSHR, GNRHR, PRLHR AVPR1A 51/4885NAMPT 1960/4885AVPR2 26/4885

“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.