SCHEMBL3552758

SCHEMBL3552758

O=C(NCc1cccnc1)c1ccc2n1Cc1ccccc1N(C(=O)c1ccc(NCCc3ccccc3)nc1)C2

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 1/20 0.44
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NAMPT P43490 4/20 0.39
USP2 O75604 1/20 0.39
F2 P00734 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL3558452 0.95 NAMPT (0.43) VNN1LMNASMN1; SMN2NAMPTUSP2
SCHEMBL3555172 0.93 VNN1 (0.45) VNN1LMNASMN1; SMN2NAMPT
SCHEMBL3558314 0.93 VNN1 (0.48) VNN1LMNASMN1; SMN2NAMPTUSP2
SCHEMBL3551515 0.93 VNN1 (0.49) VNN1LMNASMN1; SMN2NAMPT
SCHEMBL3554481 0.91 VNN1 (0.43) VNN1LMNASMN1; SMN2NAMPT
SCHEMBL3550414 0.87 STAT3 (0.48) VNN1LMNASMN1; SMN2NAMPTUSP2
SCHEMBL3554440 0.87 USP2 (0.47) VNN1LMNASMN1; SMN2NAMPTUSP2
SCHEMBL5890955 0.87 HPGDS (0.47) VNN1LMNASMN1; SMN2NAMPTUSP2
SCHEMBL3557069 0.87 SMN1; SMN2 (0.45) VNN1LMNASMN1; SMN2NAMPTALDH1A1
SCHEMBL3552792 0.86 USP2 (0.47) VNN1LMNASMN1; SMN2NAMPTUSP2

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 VNN1 4445/4885LMNA 4827/4885SMN1; SMN2 4881/4885

“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.