SCHEMBL5396104

SCHEMBL5396104

O=C(Nc1cc(C(F)(F)F)c(F)cc1[N+](=O)[O-])C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.44
CYP3A4 P08684 2/20 0.44
PGR P06401 1/20 0.44
ALDH1A1 P00352 2/20 0.41
HTT P42858 2/20 0.41
CES2 O00748 1/20 0.41
ABCB11 O95342 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
GLA P06280 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CHRM1 P11229 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
TBXA2R P21731 1/20 0.41
AADAC P22760 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
ADRA1A P35348 1/20 0.41

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
SCHEMBL8902955 0.90 AR (0.47) ARCYP3A4PGRALDH1A1HTT
SCHEMBL31601892 0.90 AR (0.47) ARCYP3A4PGRALDH1A1HTT
SCHEMBL462770 0.86 NPSR1 (0.48) ARCYP3A4PGRALDH1A1HTT
SCHEMBL31495022 0.84 AR (0.43) ARCYP3A4PGRALDH1A1HTT
SCHEMBL1797636 0.84 AR (0.43) ARCYP3A4PGRALDH1A1HTT
SCHEMBL7746027 0.82 AR (0.41) ARCYP3A4PGRALDH1A1HTT
SCHEMBL6266898 0.81 AR (0.43) ARCYP3A4PGRALDH1A1HTT
SCHEMBL22636966 0.81 AR (0.42) ARCYP3A4PGRALDH1A1HTT
SCHEMBL239425 0.80 PDK1 (0.40) ARCYP3A4PGRALDH1A1HTT
SCHEMBL1192664 0.80 NPSR1 (0.48) ARCYP3A4PGRALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7214691-B2 2-substituted benzimidazole derivatives as selective melanin concentrating hormone receptor antagonists for the treatment of obesity and related disorders SCHERING CORPORATION (US) 2007-05-08 US disclosed
US-7214691-B2 2-substituted benzimidazole derivatives as selective melanin concentrating hormone receptor antagonists for the treatment of obesity and related disorders SCHERING CORPORATION (US) 2007-05-08 US disclosed
US-7214691-B2 2-substituted benzimidazole derivatives as selective melanin concentrating hormone receptor antagonists for the treatment of obesity and related disorders SCHERING CORPORATION (US) 2007-05-08 US disclosed
EP-1660478-A1 2-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS SELECTIVE MELANIN CONCENTRATING HORMONE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF OBESITY AND RELATED DISORDERS SCHERING CORPORATION (US) 2006-05-31 EP disclosed
WO-2005021528-A1 2-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS SELECTIVE MELANIN CONCENTRATING HORMONE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF OBESITY AND RELATED DISORDERS SCHERING CORPORATION (US) 2005-03-10 WO disclosed
US-20050049269-A1 2-Substituted benzimidazole derivatives as selective melanin concentrating hormone receptor antagonists for the treatment of obesity and related disorders SCHERING CORPORATION 2005-03-03 US disclosed
EP-0596358-B1 0-Phenylenediamines containing fluoroakyl(ene) groups and their use as intermediates in the preparation of benzimidazoles BAYER AG (DE) 1998-10-28 EP disclosed
US-5484953-A CHEMICAL INTERMEDIATES FOR BENZIMIDAZOLES FOR INSECTICIDES OR NEMATOCIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-01-16 US disclosed
EP-0596358-A1 0-Phenylenediamines containing fluoroakyl(ene) groups and their use as intermediates in the preparation of benzimidazoles BAYER AG (DE) 1994-05-11 EP 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-20050049269-A1 2-Substituted benzimidazole derivatives as selective melanin concentrating hormone receptor antagonists for the treatment of obesity and related disorders MCHR1, NPY1R, MCHR2 AR 72/4885CYP3A4 787/4885PGR 538/4885

“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.