SCHEMBL3534087

SCHEMBL3534087

COc1cc(C(=O)N2Cc3ccc(C(=O)NCCc4ccc(Cl)cc4)n3Cc3ccccc32)ccc1-c1ccccc1C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 7/20 0.45
AVPR1A P37288 2/20 0.43
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
MAPT P10636 1/20 0.41
GAA P10253 1/20 0.40
NAMPT P43490 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
DNMT3A Q9Y6K1 1/20 0.38
TP53 P04637 1/20 0.37
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 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
SCHEMBL3536120 0.94 AVPR2 (0.46) AVPR2AVPR1ANPC1RAB9ATP53
SCHEMBL3540620 0.94 AVPR2 (0.46) AVPR2AVPR1AMAPTNAMPTNPC1
SCHEMBL3533405 0.94 AVPR2 (0.46) AVPR2AVPR1ANAMPTNPC1RAB9A
SCHEMBL3539415 0.93 AVPR2 (0.44) AVPR2AVPR1AMAPTNAMPTNPC1
SCHEMBL3535538 0.93 MAPT (0.47) AVPR2AVPR1AMAPTTP53ROCK2
SCHEMBL3536084 0.93 AVPR2 (0.42) AVPR2AVPR1AMAPTGAANAMPT
SCHEMBL3533453 0.92 AVPR2 (0.46) AVPR2MAPTGAANAMPTNPC1
SCHEMBL3532148 0.90 AVPR2 (0.48) AVPR2AVPR1ANAMPTNPC1RAB9A
SCHEMBL3537184 0.89 AVPR2 (0.47) AVPR2AVPR1AMAPTNAMPTNPC1
SCHEMBL3531801 0.89 NAMPT (0.44) AVPR2MAPTNAMPTNPC1RAB9A

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-7691848-B2 Pyrrolobenzodiazepine arylcarboxamides and derivatives thereof as follicle-stimulating hormone receptor antagonists WYETH (US) 2010-04-06 US claimed
US-20060199806-A1 Pyrrolobenzodiazepine arylcarboxamides and derivatives thereof as follicle-stimulating hormone receptor antagonists WYETH (US) 2006-09-07 US claimed
US-7691848-B2 Pyrrolobenzodiazepine arylcarboxamides and derivatives thereof as follicle-stimulating hormone receptor antagonists WYETH (US) 2010-04-06 US disclosed
US-20060199806-A1 Pyrrolobenzodiazepine arylcarboxamides and derivatives thereof as follicle-stimulating hormone receptor antagonists WYETH (US) 2006-09-07 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-20060199806-A1 Pyrrolobenzodiazepine arylcarboxamides and derivatives thereof as follicle-stimulating hormone receptor antagonists FSHR, GNRHR, LHCGR AVPR2 31/4885AVPR1A 63/4885PSEN1 2924/4885

“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.