SCHEMBL21593085

SCHEMBL21593085

Cc1ccc(S(=O)(=O)n2cc(I)c3c(Oc4cnc5c(c4)CN(C(=O)OC(C)(C)C)CC5)ccnc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.37
▸ ACACB O00763 1/20 0.37
▸ ESR2 Q92731 1/20 0.36
▸ NR1H2 P55055 1/20 0.36
▸ HTR6 P50406 1/20 0.34
▸ GCK P35557 5/20 0.33
▸ GPR119 Q8TDV5 3/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ F13A1 P00488 1/20 0.32
▸ TGM2 P21980 1/20 0.32
▸ KIT P10721 1/20 0.32
▸ MET P08581 1/20 0.32

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
SCHEMBL21593084 0.91 NR1H2 (0.42) MAPTACACBESR2NR1H2HTR6
SCHEMBL21593175 0.87 NR1H2 (0.36) MAPTACACBESR2NR1H2HTR6
SCHEMBL23762163 0.82 ACHE (0.39) MAPTACACBHTR6GCK
SCHEMBL30381434 0.81 HTR6 (0.39) MAPTACACBESR2NR1H2HTR6
SCHEMBL25304050 0.81 HTR6 (0.39) MAPTACACBESR2NR1H2HTR6
SCHEMBL21593173 0.80 NR1H2 (0.39) ACACBESR2NR1H2HTR6
SCHEMBL21593086 0.79 NR1H2 (0.44) MAPTESR2NR1H2HTR6GPR119
SCHEMBL21593108 0.78 NR1H2 (0.42) MAPTACACBESR2NR1H2HTR6
SCHEMBL21593106 0.78 NR1H2 (0.39) MAPTACACBESR2NR1H2HTR6
SCHEMBL21593191 0.78 NR1H2 (0.38) MAPTACACBESR2NR1H2HTR6

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 2 patents. 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
WO-2019238628-A1 AZAINDOLE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2019-12-19 — — 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-20210253568-A1 AZAINDOLE DERIVATIVES AS RHO-KINASE INHIBITORS ROCK1, ROCK2, RHOA MAPT 3057/4885ACACB 2494/4885ESR2 3940/4885

“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.

Send feedback