SCHEMBL3536892

SCHEMBL3536892

Cc1ccccc1-c1ccc(C(=O)N2Cc3ccc(C(=O)NC(C)CCc4ccccc4)n3Cc3ccccc32)cc1C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.43
TAS1R1 Q7RTX1 2/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
AVPR2 P30518 5/20 0.42
AVPR1A P37288 2/20 0.42
HPGD P15428 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
HSP90AA1 P07900 1/20 0.39
TSHR P16473 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALOX15 P16050 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
USP2 O75604 1/20 0.38
PPARG P37231 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
SCHEMBL3534309 0.86 AVPR2 (0.44) AVPR2AVPR1A
SCHEMBL3536824 0.86 AVPR2 (0.43) SMN1; SMN2AVPR2AVPR1AHPGDPOLB
SCHEMBL3535291 0.85 AVPR2 (0.45) AVPR2AVPR1A
SCHEMBL3533000 0.85 AVPR2 (0.42) SMN1; SMN2AVPR2AVPR1AHPGDPOLB
SCHEMBL3533015 0.83 AVPR2 (0.43) AVPR2AVPR1APOLB
SCHEMBL3531300 0.82 AVPR2 (0.44) AVPR2AVPR1A
SCHEMBL3536395 0.82 AVPR2 (0.45) AVPR2AVPR1APOLB
SCHEMBL3533308 0.82 AVPR2 (0.42) AVPR2AVPR1APPARG
SCHEMBL3536084 0.81 AVPR2 (0.42) AVPR2AVPR1A
SCHEMBL3535917 0.81 AVPR2 (0.43) AVPR2AVPR1APOLB

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 TAS1R3 1832/4885TAS1R1 2164/4885KMT2A 2125/4885

“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.