SCHEMBL3534857

SCHEMBL3534857

COc1ccccc1-c1ccc(C(=O)N2Cc3ccc(C(=O)NCCc4ccc(O)cc4)n3Cc3ccccc32)cc1C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 7/20 0.46
AVPR1A P37288 4/20 0.38
DNMT3A Q9Y6K1 1/20 0.38
NAMPT P43490 2/20 0.38
F10 P00742 1/20 0.38
CNR2 P34972 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL3533405 0.94 AVPR2 (0.46) AVPR2AVPR1ADNMT3ANAMPTCNR2
SCHEMBL3533308 0.93 AVPR2 (0.42) AVPR2AVPR1ANAMPT
SCHEMBL3536120 0.89 AVPR2 (0.46) AVPR2AVPR1ANPC1RAB9ALMNA
SCHEMBL3532079 0.89 AVPR2 (0.45) AVPR2NAMPTALDH1A1LMNAGAA
SCHEMBL3536119 0.89 NAMPT (0.44) AVPR2AVPR1ANAMPTNPC1RAB9A
SCHEMBL3540620 0.88 AVPR2 (0.46) AVPR2AVPR1ANAMPTNPC1RAB9A
SCHEMBL3534087 0.88 AVPR2 (0.45) AVPR2AVPR1ADNMT3ANAMPTNPC1
SCHEMBL5891642 0.87 AVPR2 (0.46) AVPR2AVPR1ANAMPTNPC1RAB9A
SCHEMBL3533015 0.87 AVPR2 (0.43) AVPR2AVPR1ANPC1RAB9AMAPT
SCHEMBL3533453 0.87 AVPR2 (0.46) AVPR2NAMPTNPC1RAB9AALDH1A1

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 63/4885DNMT3A 3858/4885

“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.