SCHEMBL18965804

SCHEMBL18965804

COC(c1ccc(C#N)cc1)c1cccc(C)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.43
AOC3 Q16853 1/20 0.43
ALDH1A1 P00352 2/20 0.41
CYP2A6 P11509 1/20 0.41
IDO1 P14902 1/20 0.40
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KCNH2 Q12809 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
HTT P42858 1/20 0.35
ACHE P22303 2/20 0.34
OPRD1 P41143 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
MAPK14 Q16539 1/20 0.34

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
SCHEMBL18965803 0.83 TSHR (0.48) ALDH1A1CYP2A6CYP19A1HTTOPRD1
SCHEMBL12314500 0.83 AOC3 (0.46) AOC3ALDH1A1ACHE
SCHEMBL7385564 0.83 CYP2A6 (0.46) ALDH1A1CYP2A6GAAL3MBTL1CYP19A1
SCHEMBL12314496 0.83 AOC3 (0.51) AOC3ALDH1A1IDO1GAAL3MBTL1
M-Xylene SCHEMBL28366327 0.75 CYP2A6 (0.64) ARALDH1A1CYP2A6IDO1KCNH2
SCHEMBL481086 0.74 FFAR1 (0.39)
SCHEMBL5479093 0.71 AOC3 (0.45) ARAOC3ALDH1A1GAAL3MBTL1
SCHEMBL24368145 0.70 IDO1 (0.44) ARALDH1A1CYP2A6IDO1GAA
SCHEMBL28971616 0.69 ALDH1A1 (0.52) ARALDH1A1CYP2A6IDO1GAA
SCHEMBL9001796 0.69 ALDH1A1 (0.67) ARALDH1A1CYP2A6IDO1CYP11B1

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-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2017-06-15 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-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS ALOX5, ALOX15, ALOX12 AR 488/4885AOC3 58/4885ALDH1A1 582/4885

“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.