SCHEMBL3554746

SCHEMBL3554746

O=C(NCc1cccnc1)c1ccc2n1Cc1ccccc1N(C(=O)c1ccc(Oc3ccccc3)cc1)C2

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.48
NAMPT P43490 3/20 0.46
LMNA P02545 4/20 0.44
HTT P42858 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
GAA P10253 1/20 0.44
MAPK14 Q16539 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
CYP3A4 P08684 1/20 0.43
AVPR1A P37288 2/20 0.43
MAPK1 P28482 1/20 0.43
HPGD P15428 2/20 0.42
POLB P06746 1/20 0.42
USP2 O75604 1/20 0.42
TSHR P16473 1/20 0.42
VNN1 O95497 1/20 0.41
ROCK2 O75116 1/20 0.41

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 0.92 USP2 (0.47) NAMPTLMNAHTTKDM4EALDH1A1
SCHEMBL3557205 0.92 GAA (0.56) MMP13LMNAHTTKDM4EALDH1A1
SCHEMBL3552792 0.92 USP2 (0.47) NAMPTLMNAHTTKDM4EALDH1A1
SCHEMBL3554744 0.91 NAMPT (0.47) NAMPTLMNAHTTKDM4EALDH1A1
SCHEMBL3553460 0.91 AVPR1A (0.52) NAMPTLMNAHTTKDM4EALDH1A1
SCHEMBL4709971 0.90 LMNA (0.47) NAMPTLMNAHTTKDM4EALDH1A1
SCHEMBL3557245 0.90 NAMPT (0.47) NAMPTLMNAHTTGAASMN1; SMN2
SCHEMBL3550048 0.90 VNN1 (0.47) NAMPTLMNAHTTKDM4EALDH1A1
SCHEMBL3553514 0.90 NAMPT (0.43) MMP13NAMPTLMNAHTTALDH1A1
SCHEMBL3553644 0.89 GAA (0.45) MMP13NAMPTLMNAHTTALDH1A1

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
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 claimed
US-20060287522-A1 Pyrrolobenzodiazepine pyridine carboxamides and derivatives as follicle-stimulating hormone receptor antagonists WYETH (US) 2006-12-21 US claimed
WO-2006135687-A1 PYRROLOBENZODIAZEPINE PYRIDINE CARBOXAMIDES AND DERIVATIVES AS FOLLICLE-STIMULATING HORMONE RECEPTOR ANTAGONISTS WYETH (US) 2006-12-21 WO 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 MMP13 4293/4885NAMPT 1960/4885LMNA 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.