SCHEMBL3553886

SCHEMBL3553886

O=C(c1ccccc1)c1ccc(C(=O)N2Cc3ccc(C(=O)C(Cl)(Cl)Cl)n3Cc3ccccc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 10/20 0.53
AVPR2 P30518 10/20 0.47
HPGD P15428 2/20 0.42
ALDH1A1 P00352 1/20 0.42
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL13403230 0.96 AVPR1A (0.53) AVPR1AAVPR2HPGDALDH1A1NPC1
SCHEMBL3552960 0.91 AVPR1A (0.63) AVPR1AAVPR2HPGDALDH1A1
SCHEMBL5788208 0.89 AVPR1A (0.50) AVPR1AAVPR2HPGDNPC1RAB9A
SCHEMBL3554634 0.85 AVPR2 (0.63) AVPR1AAVPR2
SCHEMBL5626382 0.84 AVPR1A (0.46) AVPR1AAVPR2
SCHEMBL3553869 0.83 AVPR1A (0.44) AVPR1AAVPR2
SCHEMBL3550318 0.83 AVPR1A (0.44) AVPR1AAVPR2
SCHEMBL3537863 0.82 AVPR1A (0.51) AVPR1AAVPR2
SCHEMBL5110111 0.82 AVPR1A (0.48) AVPR1AAVPR2HPGDNPC1RAB9A
SCHEMBL3535323 0.82 AVPR2 (0.49) AVPR1AAVPR2

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 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 51/4885AVPR2 26/4885HPGD 1590/4885

“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.