SCHEMBL3558452

SCHEMBL3558452

O=C(NCc1cccnc1)c1ccc2n1Cc1ccccc1N(C(=O)c1ccc(NCCCc3ccccc3)nc1)C2

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.43
VNN1 O95497 1/20 0.43
TRPV1 Q8NER1 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EPHX2 P34913 1/20 0.39
USP2 O75604 1/20 0.38

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
SCHEMBL3552758 0.95 VNN1 (0.44) NAMPTVNN1LMNASMN1; SMN2USP2
SCHEMBL3554481 0.93 VNN1 (0.43) NAMPTVNN1TRPV1LMNASMN1; SMN2
SCHEMBL3555172 0.92 VNN1 (0.45) NAMPTVNN1LMNASMN1; SMN2
SCHEMBL3558314 0.92 VNN1 (0.48) NAMPTVNN1LMNASMN1; SMN2USP2
SCHEMBL3551515 0.92 VNN1 (0.49) NAMPTVNN1LMNASMN1; SMN2
SCHEMBL3550414 0.86 STAT3 (0.48) NAMPTVNN1LMNASMN1; SMN2USP2
SCHEMBL3554440 0.86 USP2 (0.47) NAMPTVNN1LMNASMN1; SMN2USP2
SCHEMBL5890955 0.86 HPGDS (0.47) NAMPTVNN1LMNASMN1; SMN2USP2
SCHEMBL3557069 0.85 SMN1; SMN2 (0.45) NAMPTVNN1LMNASMN1; SMN2
SCHEMBL3559751 0.85 NAMPT (0.45) NAMPTVNN1LMNASMN1; 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 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 1960/4885VNN1 4445/4885TRPV1 286/4885

“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.