SCHEMBL3535503

SCHEMBL3535503

Cc1ccccc1-c1ccc(C(=O)N2Cc3ccc(C(=O)NCc4cccc(C(F)(F)F)c4)n3Cc3ccccc32)cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.42
MLYCD O95822 1/20 0.41
BACE1 P56817 1/20 0.41
MEN1 O00255 1/20 0.41
PLA2G1B P04054 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
MAPK14 Q16539 1/20 0.40
ROCK2 O75116 1/20 0.40
AVPR2 P30518 3/20 0.40
LMNA P02545 2/20 0.40
AVPR1A P37288 1/20 0.40
PPARG P37231 1/20 0.39
DDR2 Q16832 2/20 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
SCHEMBL3536103 0.93 ROCK2 (0.46) HTR7MLYCDBACE1MEN1PLA2G1B
SCHEMBL3533195 0.90 AVPR2 (0.43) ROCK2AVPR2LMNAAVPR1AMAPT
SCHEMBL3535291 0.90 AVPR2 (0.45) AVPR2LMNAAVPR1A
SCHEMBL3535427 0.89 AVPR2 (0.42) ROCK2AVPR2LMNAAVPR1APPARG
SCHEMBL3534963 0.89 AVPR2 (0.42) AVPR2LMNAAVPR1A
SCHEMBL3532097 0.89 NAMPT (0.43) AVPR2LMNAAVPR1APPARG
SCHEMBL3531924 0.88 AVPR2 (0.43) AVPR2LMNAAVPR1A
SCHEMBL3532534 0.87 LMNA (0.47) MAPK14ROCK2AVPR2LMNAAVPR1A
SCHEMBL3532263 0.87 AVPR2 (0.44) TDP1AVPR2LMNAAVPR1AMAPT
SCHEMBL3538020 0.86 AVPR2 (0.41) ROCK2AVPR2AVPR1A

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 HTR7 251/4885MLYCD 2606/4885BACE1 3192/4885

“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.