SCHEMBL2453877

SCHEMBL2453877

Fc1cc(F)c(-c2c(Cl)nc(Cl)n2-c2ccc(Cl)nc2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
CHRNB4 P30926 3/20 0.33
CHRNA3 P32297 3/20 0.33
CHRNB2 P17787 3/20 0.32
CHRNA4 P43681 3/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
CYP11B2 P19099 1/20 0.31
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL2451254 0.87 GRM5 (0.35) POLBCHRNB4CHRNA3IDO1TDO2
SCHEMBL1075073 0.86 PTGS1 (0.35) POLBIDO1TDO2NPC1MAPT
SCHEMBL1073917 0.83 KCNH2 (0.36) POLBIDO1TDO2MAPT
SCHEMBL1073004 0.81 PDE4B (0.41) IDO1TDO2CYP11B2
SCHEMBL2450914 0.81 CYP11B1 (0.39) CHRNB2CHRNA4CYP11B2NPC1MAPT
SCHEMBL1074544 0.78 KDM4E (0.35) IDO1TDO2
SCHEMBL19953120 0.77 USP2 (0.38) IDO1TDO2
SCHEMBL2451435 0.76 PIK3CA (0.34)
SCHEMBL2342861 0.76 MEN1 (0.35) CHRNB2CHRNA4NPC1RAB9A
SCHEMBL1074021 0.75 PTGS1 (0.35) POLBIDO1TDO2

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 POLB 4592/4885CHRNB4 1866/4885CHRNA3 1131/4885

“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.