SCHEMBL4782371

SCHEMBL4782371

O=C(O)NC1Cc2ccc(O)cc2C1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 10/20 0.52
CA2 P00918 10/20 0.52
ACHE P22303 4/20 0.52
CA12 O43570 5/20 0.45
CA7 P43166 5/20 0.45
CA14 Q9ULX7 5/20 0.45
DRD3 P35462 4/20 0.44
DRD2 P14416 3/20 0.44
CA9 Q16790 3/20 0.44
DRD4 P21917 2/20 0.44
OPRK1 P41145 1/20 0.42
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 0.41
GRM7 Q14831 2/20 0.41
CYP19A1 P11511 1/20 0.41
CYP11B2 P19099 1/20 0.41

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
SCHEMBL433099 0.87 CA1 (0.70) CA1CA2ACHEDRD3DRD2
SCHEMBL9505624 0.84 CA1 (0.63) CA1CA2ACHECA12CA7
SCHEMBL11895489 0.84 CA1 (0.50) CA1CA2CA12CA7CA14
SCHEMBL26650239 0.84 CA1 (0.50) CA1CA2CA12CA7CA14
SCHEMBL11896240 0.82 CA1 (0.49) CA1CA2ACHECA12CA7
SCHEMBL1590871 0.81 CA1 (0.44) CA1CA2CA12CA7CA14
SCHEMBL20791258 0.81 CA1 (0.44) CA1CA2CA12CA7CA14
SCHEMBL4641731 0.81 CA1 (0.47) CA1CA2CA12CA7CA14
SCHEMBL9851524 0.79 GRM7 (0.59) CA1CA2NPC1LMNARAB9A
SCHEMBL1591000 0.78 GRM7 (0.43) CA1CA2CA12CA7CA14

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11332468-B2 Azaindole derivatives as Rho-kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2022-05-17 US disclosed
EP-3728248-B1 AZAINDOLE DERIVATIVES AS RHO-KINASE INHIBITORS CHIESI FARM SPA (IT) 2022-02-02 EP disclosed
US-20200392133-A1 AZAINDOLE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2020-12-17 US disclosed
WO-2008061006-A1 SUBSTITUTED INDAN-2-YL, TETRAHYDRONAPHTHALEN-2-YL, OR DIHYDR0-2H-CHR0MEN-3-YL ARYLSULFONAMIDES AND METHODS OF THEIR USE WYETH (US) 2008-05-22 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 (2 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-11332468-B2 Azaindole derivatives as Rho-kinase inhibitors ROCK1, ROCK2, RHOA CA1 4470/4885CA2 1167/4885ACHE 2165/4885
US-20200392133-A1 AZAINDOLE DERIVATIVES AS RHO- KINASE INHIBITORS ROCK1, ROCK2, RHOA CA1 4470/4885CA2 1167/4885ACHE 2165/4885

“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.