SCHEMBL3554855

SCHEMBL3554855

Cc1cc(C(=O)N2Cc3ccc(C(=O)NCc4cccnc4)n3Cc3ccccc32)ccc1-c1ccccc1C(C)O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.39
PKM P14618 1/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ROCK2 O75116 1/20 0.38
DRD2 P14416 2/20 0.38
DRD3 P35462 1/20 0.38
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
TP53 P04637 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
AVPR2 P30518 1/20 0.36

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
SCHEMBL3554172 0.92 NAMPT (0.42) NAMPTPKMLMNASMN1; SMN2ROCK2
SCHEMBL3550434 0.90 AVPR1A (0.42) NAMPTPKMLMNASMN1; SMN2DRD2
SCHEMBL3554157 0.89 DGAT2 (0.44) NAMPTPKMLMNASMN1; SMN2ROCK2
SCHEMBL3555113 0.89 NAMPT (0.40) NAMPTPKMLMNASMN1; SMN2ROCK2
SCHEMBL3550256 0.89 USP2 (0.45) NAMPTPKMLMNASMN1; SMN2ROCK2
SCHEMBL3553328 0.89 AVPR2 (0.40) NAMPTPKMLMNASMN1; SMN2ROCK2
SCHEMBL3553530 0.89 HTT (0.43) NAMPTLMNASMN1; SMN2ROCK2ALDH1A1
SCHEMBL3552860 0.88 LMNA (0.42) NAMPTPKMLMNAALDH1A1GAA
SCHEMBL3558808 0.88 AVPR2 (0.45) NAMPTROCK2ALDH1A1GAAPOLB
SCHEMBL3559955 0.88 NAMPT (0.41) NAMPTPKMLMNASMN1; SMN2ROCK2

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-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
US-20060287522-A1 Pyrrolobenzodiazepine pyridine carboxamides and derivatives as follicle-stimulating hormone receptor antagonists WYETH (US) 2006-12-21 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-20060287522-A1 Pyrrolobenzodiazepine pyridine carboxamides and derivatives as follicle-stimulating hormone receptor antagonists FSHR, GNRHR, PRLHR NAMPT 1960/4885PKM 2716/4885LMNA 4827/4885

“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.