SCHEMBL3552894

SCHEMBL3552894

COc1ccccc1-c1ccc(C(=O)N2Cc3ccc(C(=O)NCc4cncc(Br)c4)n3Cc3ccccc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 8/20 0.48
AVPR1A P37288 3/20 0.43
KCNH2 Q12809 2/20 0.42
TP53 P04637 1/20 0.40
GRIN2B Q13224 1/20 0.39
ITGA4 P13612 1/20 0.38
ITGB7 P26010 1/20 0.38
LMNA P02545 2/20 0.38
POLB P06746 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
SCHEMBL3553453 0.89 AVPR2 (0.48) AVPR2AVPR1ATP53LMNAPOLB
SCHEMBL5890729 0.88 AVPR2 (0.50) AVPR2AVPR1ATP53LMNAPOLB
SCHEMBL5891483 0.83 AVPR2 (0.51) AVPR2AVPR1ALMNAPOLB
SCHEMBL3576884 0.83 AVPR2 (0.51) AVPR2AVPR1A
SCHEMBL5891209 0.83 ALDH1A1 (0.48) AVPR2TP53POLB
SCHEMBL3580102 0.82 AVPR2 (0.50) AVPR2AVPR1A
SCHEMBL3560078 0.82 LMNA (0.44) AVPR2AVPR1ATP53LMNA
SCHEMBL5891358 0.81 AVPR2 (0.49) AVPR2AVPR1ATP53LMNAPOLB
SCHEMBL3576454 0.81 AVPR2 (0.49) AVPR2AVPR1A
SCHEMBL6651468 0.81 AVPR2 (0.54) AVPR2AVPR1AKCNH2TP53LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 AVPR2 26/4885AVPR1A 51/4885KCNH2 883/4885

“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.