SCHEMBL21593181

SCHEMBL21593181

Cc1ccc(S(=O)(=O)n2cc(-c3cc(NCCc4ccccc4)ncn3)c3c(Oc4ccc5c(c4)CN(C(=O)OC(C)(C)C)CC5)ccnc32)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.34
▸ GCK P35557 1/20 0.34
▸ BCL2 P10415 2/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ BAD Q92934 1/20 0.34
▸ P2RX7 Q99572 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ OPRM1 P35372 2/20 0.33
▸ OPRK1 P41145 2/20 0.33
▸ ACACB O00763 1/20 0.33
▸ NR1H2 P55055 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ MMP1 P03956 1/20 0.32
▸ MMP2 P08253 1/20 0.32
▸ MMP7 P09237 1/20 0.32
▸ MMP9 P14780 1/20 0.32
▸ MMP12 P39900 1/20 0.32
▸ MMP14 P50281 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
SCHEMBL21593138 0.94 HCRTR2 (0.34) HTR6GCKMAPTACACBNR1H2
SCHEMBL29836487 0.94 ACHE (0.38) HTR6HDAC8GCKP2RX7MAPT
SCHEMBL21593100 0.94 ACHE (0.38) HTR6HDAC8GCKP2RX7MAPT
SCHEMBL21593186 0.93 HTR6 (0.36) HTR6GCKP2RX7OPRM1OPRK1
SCHEMBL23762076 0.89 GCK (0.36) HTR6GCKMAPTNR1H2LMNA
SCHEMBL21593188 0.88 HTR6 (0.35) HTR6GCKP2RX7OPRM1OPRK1
SCHEMBL21593137 0.88 HTR6 (0.35) HTR6GCKP2RX7OPRM1OPRK1
SCHEMBL21593182 0.87 HCRTR2 (0.35) HTR6GCKMAPTACACBNR1H2
SCHEMBL23751199 0.87 ALDH1A1 (0.38) MAPTOPRM1OPRK1MMP1MMP2
SCHEMBL21593132 0.87 ACHE (0.40) HTR6HDAC8GCKP2RX7NR1H2

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 HTR6 2835/4885HDAC8 966/4885GCK 3395/4885

“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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