SCHEMBL10122809

SCHEMBL10122809

COC(=O)NC(Cc1ccncc1)C(=O)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.46
ALDH1A1 P00352 3/20 0.42
ALOX15 P16050 1/20 0.42
MMP9 P14780 3/20 0.42
MMP8 P22894 3/20 0.42
MMP2 P08253 2/20 0.42
CYP3A4 P08684 1/20 0.42
CTSK P43235 1/20 0.40
CYP19A1 P11511 2/20 0.39
ITGA4 P13612 1/20 0.39
ITGB7 P26010 1/20 0.39
THRB P10828 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GPR132 Q9UNW8 1/20 0.38
NAMPT P43490 1/20 0.38
NPY5R Q15761 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
SCHEMBL888743 1.00 ACACB (0.46) ACACBALDH1A1ALOX15MMP9MMP8
SCHEMBL888695 0.85 ALDH1A1 (0.56) ALDH1A1ALOX15CTSKTHRBCYP2C9
SCHEMBL30476824 0.85 ATM (0.50) ACACBALDH1A1ALOX15THRBCYP2C9
SCHEMBL29166052 0.85 ITGA4 (0.51) ACACBALDH1A1CYP3A4ITGA4ITGB7
SCHEMBL754140 0.85 ITGA4 (0.51) ACACBALDH1A1CYP3A4ITGA4ITGB7
SCHEMBL888697 0.85 ALDH1A1 (0.56) ALDH1A1ALOX15CTSKTHRBCYP2C9
SCHEMBL14850462 0.85 ACACB (0.46) ACACBALDH1A1ALOX15MMP9MMP8
SCHEMBL10281747 0.85 ALDH1A1 (0.56) ALDH1A1ALOX15CTSKTHRBCYP2C9
SCHEMBL18117370 0.84 ACACB (0.45) ACACBALDH1A1ALOX15MMP9MMP8
SCHEMBL10122806 0.83 ACACB (0.48) ACACBALDH1A1ALOX15MMP9MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017499-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2018-07-10 US disclosed
US-9676802-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2017-06-13 US disclosed
US-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARM INC (US) 2017-04-27 US disclosed
US-20140193363-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2014-07-10 US disclosed
US-8673954-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2014-03-18 US disclosed
US-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2012-03-29 US disclosed
US-20110008288-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-01-13 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 (5 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-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 ACACB 265/4885ALDH1A1 201/4885ALOX15 3188/4885
US-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 ACACB 265/4885ALDH1A1 201/4885ALOX15 3188/4885
US-10017499-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L ACACB 213/4885ALDH1A1 132/4885ALOX15 2840/4885
US-20110008288-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 ACACB 206/4885ALDH1A1 365/4885ALOX15 2352/4885
US-20140193363-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 ACACB 265/4885ALDH1A1 201/4885ALOX15 3188/4885

“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.