SCHEMBL21593084

SCHEMBL21593084

Cc1ccc(S(=O)(=O)n2cc(I)c3c(Oc4ccc5c(c4)CN(C(=O)OC(C)(C)C)CC5)ccnc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.42
▸ ESR2 Q92731 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ ACACB O00763 1/20 0.36
▸ HTR6 P50406 1/20 0.35
▸ MAPT P10636 3/20 0.34
▸ GPR119 Q8TDV5 4/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ IGF1R P08069 1/20 0.33
▸ MMP1 P03956 1/20 0.33
▸ MMP13 P45452 1/20 0.33
▸ ADAM17 P78536 1/20 0.33
▸ F13A1 P00488 1/20 0.33
▸ TGM2 P21980 1/20 0.33
▸ GCK P35557 1/20 0.33
▸ KIT P10721 1/20 0.33

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
SCHEMBL21593085 0.91 MAPT (0.37) NR1H2ESR2ALDH1A1HPGDHSD17B10
SCHEMBL21593086 0.88 NR1H2 (0.44) NR1H2ESR2ALDH1A1HPGDHSD17B10
SCHEMBL21593173 0.87 NR1H2 (0.39) NR1H2ESR2ACACBHTR6
SCHEMBL21593108 0.87 NR1H2 (0.42) NR1H2ESR2ALDH1A1HPGDHSD17B10
SCHEMBL21593106 0.87 NR1H2 (0.39) NR1H2ESR2ALDH1A1HPGDHSD17B10
SCHEMBL21593191 0.86 NR1H2 (0.38) NR1H2ESR2ALDH1A1HPGDHSD17B10
SCHEMBL21593114 0.85 NR1H2 (0.44) NR1H2ESR2ALDH1A1HPGDHSD17B10
SCHEMBL21593189 0.84 NR1H2 (0.37) NR1H2ESR2ALDH1A1HPGDHSD17B10
SCHEMBL21593192 0.84 NR1H2 (0.38) NR1H2MAPTHDAC8IGF1RMMP1
SCHEMBL29836554 0.84 NR1H2 (0.38) NR1H2MAPTHDAC8IGF1RMMP1

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 1422/4885ESR2 3940/4885ALDH1A1 1778/4885

“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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