SCHEMBL7723724

SCHEMBL7723724

CC(=O)NC(C)c1cccc(C)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 2/20 0.49
HSD17B10 Q99714 1/20 0.49
ACACB O00763 7/20 0.48
ACACA Q13085 5/20 0.48
KCNA5 P22460 1/20 0.45
KCNH2 Q12809 1/20 0.45
KCNB1 Q14721 1/20 0.45
ACP3 P15309 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPKAPK2 P49137 1/20 0.43

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
SCHEMBL13759315 1.00 GPR139 (0.49) GPR139HSD17B10ACACBACACAKCNA5
SCHEMBL12341889 1.00 GPR139 (0.49) GPR139HSD17B10ACACBACACAKCNA5
SCHEMBL13759318 1.00 GPR139 (0.49) GPR139HSD17B10ACACBACACAKCNA5
SCHEMBL23961320 0.89 MMP9 (0.49) GPR139HSD17B10ACACBACACAKCNA5
SCHEMBL23961371 0.83 GPR139 (0.64) GPR139
SCHEMBL13452335 0.82 ALDH1A1 (0.49) HSD17B10ACACBACACAALDH1A1MAPKAPK2
SCHEMBL12341890 0.81 ALDH1A1 (0.59) ACACBACACAALDH1A1
SCHEMBL12184906 0.81 ALDH1A1 (0.50) ACACBACACAALDH1A1MAPKAPK2
SCHEMBL13348738 0.81 ACACB (0.47) ACACBACACAALDH1A1
SCHEMBL3893098 0.81 ALDH1A1 (0.59) ACACBACACAALDH1A1

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
CN-114948963-A Protein kinase inhibitor benzolactam compounds 大冢制药株式会社 2022-08-30 CN disclosed
CN-108617166-B Protein kinase inhibitor benzolactam compounds 大冢制药株式会社 2022-05-17 CN disclosed
US-8268855-B2 1,6-dihydro-1,3,5,6-tetraaza-as-indacene based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-18 US disclosed
US-20100210629-A1 1,6-DIHYDRO-1,3,5,6-TETRAAZA-AS-INDACENE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME BRISTOL-MYERS SQUIBB COMPANY 2010-08-19 US disclosed
US-7737279-B2 1,6-dihydro-1,3,5,6-tetraaza-as-indacene based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-15 US disclosed
US-6399787-B1 TRANSITION METAL COMPLEX PENN STATE RESEARCH FOUNDATION 2002-06-04 US disclosed
WO-1999059721-A1 CATALYTIC ASYMMETRIC HYDROGENATION, HYDROFORMYLATION, AND HYDROVINYLATION VIA TRANSITION METAL CATALYSTS WITH PHOSPHINES AND PHOSPHITES THE PENN STATE RESEARCH FOUNDATION (US) 1999-11-25 WO 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-20100210629-A1 1,6-DIHYDRO-1,3,5,6-TETRAAZA-AS-INDACENE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME IL1R1, IDO1, TLR1 GPR139 1852/4885HSD17B10 612/4885ACACB 3274/4885

“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.