SCHEMBL13664656

SCHEMBL13664656

CSc1ccc(CN=C=S)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MIF P14174 7/20 0.57
TRPA1 O75762 2/20 0.57
CYP3A4 P08684 2/20 0.55
ALDH1A1 P00352 1/20 0.55
HPGD P15428 1/20 0.55
SLC6A4 P31645 9/20 0.42
MAOA P21397 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL330596 0.83 MIF (0.61) MIFTRPA1CYP3A4ALDH1A1HPGD
SCHEMBL2141861 0.82 MIF (0.77) MIFTRPA1CYP3A4ALDH1A1HPGD
SCHEMBL13667975 0.77 SLC6A4 (0.47) CYP3A4SLC6A4MAOASLC6A2SLC6A3
SCHEMBL1706732 0.77 MIF (0.63) MIFTRPA1CYP3A4ALDH1A1HPGD
SCHEMBL9610849 0.77 MIF (0.63) MIFTRPA1CYP3A4ALDH1A1HPGD
SCHEMBL8763362 0.76 MIF (0.68) MIFTRPA1CYP3A4ALDH1A1HPGD
SCHEMBL9678076 0.76 MIF (0.56) MIFTRPA1CYP3A4ALDH1A1HPGD
SCHEMBL13764448 0.73 MIF (0.49) MIFTRPA1CYP3A4ALDH1A1HPGD
SCHEMBL1457562 0.72 MIF (1.00) MIFTRPA1CYP3A4ALDH1A1HPGD
SCHEMBL895951 0.72 MIF (0.64) MIFTRPA1CYP3A4ALDH1A1HPGD

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 601/4885CYP3A4 203/4885

“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.