SCHEMBL20296607

SCHEMBL20296607

NC(=O)c1ccc2oc(N3CCCC4(CCO4)C3)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.41
CNR2 P34972 2/20 0.40
PTGES O14684 3/20 0.37
PTGS2 P35354 1/20 0.37

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
SCHEMBL20296690 0.87 HDAC6 (0.43) HDAC6
SCHEMBL20296286 0.86 HDAC6 (0.41) HDAC6CNR2PTGESPTGS2
SCHEMBL20296575 0.85 HDAC6 (0.42) HDAC6CNR2PTGES
SCHEMBL18344102 0.83
SCHEMBL28821900 0.83 HDAC6 (0.49) HDAC6CNR2PTGES
SCHEMBL28821901 0.81 HRH3 (0.48) HDAC6CNR2PTGES
SCHEMBL20296685 0.80 HDAC6 (0.43) HDAC6
SCHEMBL20296430 0.79 MGLL (0.44) HDAC6CNR2
SCHEMBL22227676 0.78 CNR2 (0.50) HDAC6CNR2
SCHEMBL29363425 0.78 MAPT (0.47) HDAC6PTGS2

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-20180179194-A1 NADPH OXIDASE 4 INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2018-06-28 US claimed

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-20180179194-A1 NADPH OXIDASE 4 INHIBITORS NOX4, NOX1, CYBB HDAC6 303/4885CNR2 3518/4885PTGES 200/4885

“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.