SCHEMBL10120609

SCHEMBL10120609

CN(C)C(C(=O)C(C)(C)C)c1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
ALOX5 P09917 1/20 0.40
AOC3 Q16853 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CMA1 P23946 1/20 0.39
HPGD P15428 1/20 0.38
HTT P42858 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
SCHEMBL756262 0.82 ALDH1A1 (0.45) ALDH1A1CYP2C9CYP2C19CYP1A2ALOX5
SCHEMBL3826728 0.82 ALDH1A1 (0.44) ALDH1A1CYP2C9CYP2C19CYP1A2ALOX5
SCHEMBL888804 0.79 ALOX5 (0.43) ALDH1A1CYP2C9CYP2C19CYP1A2ALOX5
SCHEMBL10140640 0.78 AOC3 (0.42) ALDH1A1CYP2C9CYP2C19CYP1A2ALOX5
SCHEMBL8907277 0.78 CES2 (0.40) ALDH1A1KDM4E
SCHEMBL8908362 0.78 CES2 (0.40) ALDH1A1KDM4E
SCHEMBL8907191 0.78 NISCH (0.47) ALDH1A1AOC3
SCHEMBL8906977 0.78 NISCH (0.47) ALDH1A1AOC3
SCHEMBL8907222 0.78 CES2 (0.40) ALDH1A1KDM4E
SCHEMBL16168811 0.77 AOC3 (0.44) ALDH1A1CYP2C9CYP2C19CYP1A2ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10752611-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2020-08-25 US disclosed
US-8673954-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2014-03-18 US disclosed
US-20130295049-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS ENANTA PHARMACEUTICALS, INC (US) 2013-11-07 US disclosed
US-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2012-03-29 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 (3 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-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 ALDH1A1 201/4885CYP2C9 324/4885CYP2C19 180/4885
US-20130295049-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, NSUN2 ALDH1A1 250/4885CYP2C9 262/4885CYP2C19 210/4885
US-10752611-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L ALDH1A1 132/4885CYP2C9 177/4885CYP2C19 105/4885

“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.