SCHEMBL3558686

SCHEMBL3558686

Cc1ccc(-c2ccc(C(=O)N3Cc4ccc(C(=O)NCc5cccnc5)n4Cc4ccccc43)cc2C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.46
MMP13 P45452 1/20 0.42
LMNA P02545 4/20 0.42
POLB P06746 2/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 3/20 0.41
GLA P06280 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
AVPR1A P37288 3/20 0.41
AVPR2 P30518 2/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 1/20 0.41
KCNJ1 P48048 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
PPARG P37231 1/20 0.40

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
SCHEMBL3553530 0.95 HTT (0.43) NAMPTLMNAKMT2AALDH1A1KDM4E
SCHEMBL3561715 0.95 AVPR2 (0.41) NAMPTLMNAPOLBKMT2AALDH1A1
SCHEMBL3553486 0.94 NPSR1 (0.42) NAMPTLMNAKMT2AALDH1A1KDM4E
SCHEMBL3554172 0.92 NAMPT (0.42) NAMPTLMNAALDH1A1KDM4EGAA
SCHEMBL3554047 0.92 EIF4E (0.43) NAMPTLMNAPOLBKMT2ATP53
SCHEMBL3556720 0.91 AVPR1A (0.51) NAMPTLMNAPOLBKMT2AALDH1A1
SCHEMBL3554592 0.91 NAMPT (0.52) NAMPTMMP13LMNAPOLBKMT2A
SCHEMBL3559955 0.90 NAMPT (0.41) NAMPTLMNAALDH1A1KDM4EGAA
SCHEMBL3553647 0.90 MAPK1 (0.41) NAMPTLMNAKMT2ANPC1ALDH1A1
SCHEMBL3550256 0.89 USP2 (0.45) NAMPTLMNAKMT2AALDH1A1AVPR2

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 4293/4885LMNA 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.