SCHEMBL23762168

SCHEMBL23762168

Cc1ccc(S(=O)(=O)n2cc(-c3ccnc(NCc4ccccc4)c3)c3c(Oc4ccc5c(c4)CN(C(=O)OC(C)(C)C)CC5)ncnc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.39
▸ HTR6 P50406 1/20 0.36
▸ NR1H2 P55055 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ GCK P35557 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ P2RX7 Q99572 2/20 0.34
▸ OPRM1 P35372 2/20 0.34
▸ OPRK1 P41145 2/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ OPRD1 P41143 1/20 0.34
▸ KCNA1 Q09470 1/20 0.33
▸ KCNAB1 Q14722 1/20 0.33
▸ MMP1 P03956 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
SCHEMBL21593076 0.92 ACHE (0.39) ACHEHTR6NR1H2HDAC8GCK
SCHEMBL29836556 0.92 ACHE (0.39) ACHEHTR6NR1H2HDAC8GCK
SCHEMBL21593172 0.87 NR1H2 (0.43) HTR6NR1H2CYP3A4
SCHEMBL21593100 0.87 ACHE (0.38) ACHEHTR6NR1H2HDAC8GCK
SCHEMBL29836487 0.87 ACHE (0.38) ACHEHTR6NR1H2HDAC8GCK
SCHEMBL23762163 0.85 ACHE (0.39) ACHEHTR6GCKMEN1KMT2A
SCHEMBL23751139 0.84 LMNA (0.37) KMT2AALDH1A1LMNAHPGDHTT
SCHEMBL23762108 0.84 ACHE (0.42) ACHEHTR6NR1H2HDAC8CYP3A4
SCHEMBL21593132 0.83 ACHE (0.40) ACHEHTR6NR1H2HDAC8GCK
SCHEMBL21593117 0.83 NR1H2 (0.34) HTR6NR1H2MEN1KMT2A

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 ACHE 1964/4885HTR6 2835/4885NR1H2 1422/4885

“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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