SCHEMBL2451300

SCHEMBL2451300

COc1cc(F)c(-c2c(Cl)nc(Cl)n2-c2cnc3ccccc3c2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.38
CCKAR P32238 7/20 0.38
IGF1R P08069 2/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
ALPL P05186 1/20 0.34
PIK3CA P42336 1/20 0.34
CYP1A2 P05177 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
CNR2 P34972 1/20 0.34
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33

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
SCHEMBL2449304 0.90 CYP11B1 (0.38) HTR3ACCKARIGF1RCYP11B1CYP11B2
SCHEMBL2450914 0.87 CYP11B1 (0.39) HTR3ACYP11B1CYP11B2ALPLPIK3CA
SCHEMBL1075073 0.83 PTGS1 (0.35) ALDH1A1KDM4ENPC1MAPTRAB9A
SCHEMBL1074021 0.82 PTGS1 (0.35) PIK3CACYP1A2
SCHEMBL2345314 0.80 PIK3CA (0.38) IGF1RALDH1A1KDM4EGAAPIK3CA
SCHEMBL1074799 0.80 GLA (0.39) GAACYP1A2
SCHEMBL1071650 0.79 CYP1A2 (0.35) ALDH1A1CYP1A2
SCHEMBL2452818 0.78 PIK3CA (0.41) HTR3ACYP11B1CYP11B2ALDH1A1KDM4E
SCHEMBL1073998 0.78 PDE4B (0.38) CYP11B2
SCHEMBL19953120 0.75 USP2 (0.38) ALDH1A1PIK3CACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110311649-A1 NOVEL IMIDAZOLE DERIVATIVES SYNGENTA CROP PROTECTION, INC. (US) 2011-12-22 US claimed
EP-2201001-B1 NOVEL IMIDAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2011-09-14 EP claimed
EP-2201001-A1 NOVEL IMIDAZOLE DERIVATIVES Syngenta Participations AG (CH) 2010-06-30 EP claimed
WO-2009053101-A1 NOVEL IMIDAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2009-04-30 WO claimed
EP-2053044-A1 Novel imidazole derivatives Syngenta Participations AG (CH) 2009-04-29 EP claimed
EP-2053046-A1 Novel imidazole derivatives Syngeta Participations AG (CH) 2009-04-29 EP claimed
US-20110311649-A1 NOVEL IMIDAZOLE DERIVATIVES SYNGENTA CROP PROTECTION, INC. (US) 2011-12-22 US disclosed
EP-2201001-B1 NOVEL IMIDAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2011-09-14 EP disclosed
EP-2201001-A1 NOVEL IMIDAZOLE DERIVATIVES Syngenta Participations AG (CH) 2010-06-30 EP disclosed
WO-2009053101-A1 NOVEL IMIDAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2009-04-30 WO disclosed
EP-2053044-A1 Novel imidazole derivatives Syngenta Participations AG (CH) 2009-04-29 EP disclosed
EP-2053046-A1 Novel imidazole derivatives Syngeta Participations AG (CH) 2009-04-29 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-20110311649-A1 NOVEL IMIDAZOLE DERIVATIVES CBR3, C3AR1, C1R HTR3A 2050/4885CCKAR 975/4885IGF1R 525/4885

“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.