SCHEMBL13664654

SCHEMBL13664654

FC(F)(F)Oc1cccc(CN=C=S)c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MIF P14174 7/20 0.60
TRPA1 O75762 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP3A4 P08684 1/20 0.49
HPGD P15428 1/20 0.49
GRIN2B Q13224 1/20 0.46
CETP P11597 4/20 0.45
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
DAO P14920 1/20 0.43
MAPK14 Q16539 1/20 0.40
DRD4 P21917 1/20 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
SCHEMBL13667974 0.82 GRIN2B (0.49) GRIN2BCETPCHRM2CHRM1CHRM3
SCHEMBL2106792 0.80 MIF (0.61) MIFTRPA1ALDH1A1CYP3A4HPGD
3-Methoxybenxyl Isothiocyanate SCHEMBL1551644 0.79 MIF (0.64) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL483536 0.77 MIF (0.74) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL23922832 0.76 GRIN2B (0.47) GRIN2BCETPCHRM2CHRM1CHRM3
SCHEMBL31286285 0.76 GRIN2B (0.47) GRIN2BCETPCHRM2CHRM1CHRM3
SCHEMBL13913424 0.76 CHRM2 (0.45) GRIN2BCETPCHRM2CHRM1CHRM3
SCHEMBL5009648 0.76 DAO (0.55) CETPCHRM2CHRM1CHRM3DAO
SCHEMBL2340843 0.76 MIF (1.00) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL178310 0.74 CHRM2 (0.55) GRIN2BCETPCHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270372-A1 NOVEL DERIVATIVES OF BENZIMIDAZOLE AND IMIDAZO-PYRIDINE AND THEIR USE AS MEDICAMENTS SOCIETE DE CONSEILS DE RECHERCHES ET (FR) 2009-10-29 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-20090270372-A1 NOVEL DERIVATIVES OF BENZIMIDAZOLE AND IMIDAZO-PYRIDINE AND THEIR USE AS MEDICAMENTS MC4R, MC3R, MC1R MIF 277/4885TRPA1 601/4885ALDH1A1 2349/4885

“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.