SCHEMBL3554592

SCHEMBL3554592

Cc1ccc(C(=O)N2Cc3ccc(C(=O)NCc4cccnc4)n3Cc3ccccc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.52
MMP13 P45452 1/20 0.48
ALDH1A1 P00352 5/20 0.48
KMT2A Q03164 1/20 0.48
LMNA P02545 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
HPGD P15428 3/20 0.46
GLA P06280 2/20 0.46
POLB P06746 2/20 0.46
AVPR1A P37288 3/20 0.45
KDM4E B2RXH2 3/20 0.45
GAA P10253 2/20 0.45
AVPR2 P30518 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.44
VNN1 O95497 1/20 0.43

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
SCHEMBL3554440 0.93 USP2 (0.47) NAMPTALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL4709971 0.92 LMNA (0.47) NAMPTALDH1A1LMNASMN1; SMN2AVPR1A
SCHEMBL3552792 0.92 USP2 (0.47) NAMPTALDH1A1LMNASMN1; SMN2POLB
SCHEMBL3557245 0.92 NAMPT (0.47) NAMPTLMNASMN1; SMN2AVPR1AGAA
SCHEMBL3550048 0.92 VNN1 (0.47) NAMPTALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL3553644 0.92 GAA (0.45) NAMPTMMP13ALDH1A1LMNASMN1; SMN2
SCHEMBL3553460 0.91 AVPR1A (0.52) NAMPTALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL3559289 0.91 KMT2A (0.48) NAMPTALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL3554744 0.91 NAMPT (0.47) NAMPTALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL3550414 0.91 STAT3 (0.48) NAMPTALDH1A1LMNASMN1; SMN2HPGD

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 1960/4885MMP13 4293/4885ALDH1A1 4219/4885

“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.