SCHEMBL23762264

SCHEMBL23762264

CC(C)(C)OC(=O)N1CCc2ccc(Oc3ccnc4c3c(-c3cc(C(=O)O)no3)cn4COCCS(C)(C)C)cc2C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.36
▸ ACACB O00763 1/20 0.35
▸ MAPT P10636 4/20 0.34
▸ HTT P42858 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ SCD5 Q86SK9 2/20 0.32
▸ GCK P35557 3/20 0.32
▸ BTK Q06187 1/20 0.32
▸ F10 P00742 1/20 0.31
▸ PLG P00747 1/20 0.31
▸ PRSS1 P07477 1/20 0.31
▸ PRSS2 P07478 1/20 0.31
▸ PRSS3 P35030 1/20 0.31
▸ PLA2G1B P04054 1/20 0.31

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
SCHEMBL23762181 0.93 NR1H2 (0.35) NR1H2ACACBMAPTHTTALDH1A1
SCHEMBL23762209 0.92 NR1H2 (0.40) NR1H2ACACBMAPTHTTALDH1A1
SCHEMBL23751127 0.92 NR1H2 (0.37) NR1H2ACACBMAPTHTTALDH1A1
SCHEMBL23762272 0.89 ACACB (0.33) NR1H2ACACBMAPTHTTALDH1A1
SCHEMBL23762190 0.88 NR1H2 (0.40) NR1H2ACACBMAPTHTTALDH1A1
SCHEMBL23762200 0.87 NR1H2 (0.39) NR1H2ACACBESR2GCKBTK
SCHEMBL22802663 0.87 NR1H2 (0.41) NR1H2ACACBMAPTESR2GCK
SCHEMBL23762088 0.86 NR1H2 (0.41) NR1H2ACACBMAPTESR2GCK
SCHEMBL23762208 0.85 NR1H2 (0.41) NR1H2ACACBMAPTHTTALDH1A1
SCHEMBL29836527 0.85 NR1H2 (0.41) NR1H2ACACBMAPTHTTALDH1A1

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-20210253568-A1 AZAINDOLE DERIVATIVES AS RHO-KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2021-08-19 — — 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-20210253568-A1 AZAINDOLE DERIVATIVES AS RHO-KINASE INHIBITORS ROCK1, ROCK2, RHOA NR1H2 1422/4885ACACB 2494/4885MAPT 3057/4885

“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.

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