SCHEMBL21593086

SCHEMBL21593086

Cc1ccc(S(=O)(=O)n2cc(I)c3c(Oc4ccc5c(c4)CN(C(=O)OC(C)(C)C)CC5)ncnc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.44
▸ CYP3A4 P08684 1/20 0.40
▸ ESR2 Q92731 1/20 0.39
▸ GPR119 Q8TDV5 9/20 0.37
▸ MKNK1 Q9BUB5 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ KIT P10721 1/20 0.35
▸ HTR6 P50406 1/20 0.35
▸ CHRM4 P08173 1/20 0.34
▸ MAPT P10636 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
SCHEMBL21593084 0.88 NR1H2 (0.42) NR1H2ESR2GPR119ALDH1A1HPGD
SCHEMBL21593063 0.85 NR1H2 (0.46) NR1H2CYP3A4ESR2GPR119ALDH1A1
SCHEMBL21593172 0.85 NR1H2 (0.43) NR1H2CYP3A4ESR2GPR119KIT
SCHEMBL23762168 0.81 ACHE (0.39) NR1H2CYP3A4ALDH1A1HPGDHTR6
SCHEMBL30381434 0.80 HTR6 (0.39) NR1H2ESR2GPR119MKNK1HTR6
SCHEMBL25304050 0.80 HTR6 (0.39) NR1H2ESR2GPR119MKNK1HTR6
SCHEMBL21593085 0.79 MAPT (0.37) NR1H2ESR2GPR119ALDH1A1HPGD
SCHEMBL30595922 0.77 KIT (0.49) GPR119KITHTR6
SCHEMBL21593173 0.77 NR1H2 (0.39) NR1H2ESR2HTR6
SCHEMBL21593128 0.77 NR1H2 (0.53) NR1H2CYP3A4ESR2MKNK1MAPT

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 NR1H2 1422/4885CYP3A4 1670/4885ESR2 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.

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