SCHEMBL3554054

SCHEMBL3554054

NCc1ccccc1-c1ccc(C(=O)N2Cc3ccc(C(=O)NCc4cccnc4)n3Cc3ccccc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 4/20 0.41
HTT P42858 2/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
VNN1 O95497 1/20 0.40
AVPR2 P30518 4/20 0.39
NAMPT P43490 3/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
OXTR P30559 1/20 0.38
MAPK1 P28482 2/20 0.38
PKM P14618 1/20 0.38
ROCK2 O75116 1/20 0.37
DRD2 P14416 2/20 0.37
DRD3 P35462 1/20 0.37

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
SCHEMBL3550605 0.95 AVPR1A (0.43) AVPR1AHTTKMT2ASMN1; SMN2LMNA
SCHEMBL3558246 0.93 AVPR1A (0.40) AVPR1AHTTKMT2ASMN1; SMN2LMNA
SCHEMBL3555191 0.92 AVPR1A (0.42) AVPR1AHTTKMT2ASMN1; SMN2LMNA
SCHEMBL3550902 0.92 AVPR1A (0.42) AVPR1AHTTKMT2ASMN1; SMN2LMNA
SCHEMBL3554118 0.91 AVPR1A (0.40) AVPR1AHTTKMT2ASMN1; SMN2LMNA
SCHEMBL3554197 0.90 AVPR1A (0.41) AVPR1AHTTKMT2ASMN1; SMN2LMNA
SCHEMBL3558928 0.90 AVPR1A (0.41) AVPR1AHTTKMT2ASMN1; SMN2LMNA
SCHEMBL3553480 0.90 AVPR1A (0.51) AVPR1AHTTKMT2ASMN1; SMN2LMNA
SCHEMBL3553986 0.90 AVPR1A (0.43) AVPR1AHTTKMT2ASMN1; SMN2LMNA
SCHEMBL3556540 0.90 AVPR1A (0.38) AVPR1AHTTKMT2ASMN1; SMN2LMNA

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
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
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 disclosed
US-20060287522-A1 Pyrrolobenzodiazepine pyridine carboxamides and derivatives as follicle-stimulating hormone receptor antagonists WYETH (US) 2006-12-21 US disclosed
WO-2006135687-A1 PYRROLOBENZODIAZEPINE PYRIDINE CARBOXAMIDES AND DERIVATIVES AS FOLLICLE-STIMULATING HORMONE RECEPTOR ANTAGONISTS WYETH (US) 2006-12-21 WO 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 AVPR1A 51/4885HTT 2736/4885KMT2A 1322/4885

“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.