SCHEMBL20296307

SCHEMBL20296307

NC(=O)c1ccc2oc(N3CC[C@H](O)C3)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.48
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
KMT2A Q03164 1/20 0.45
PTGES O14684 4/20 0.44
PTGS2 P35354 1/20 0.44
HRH3 Q9Y5N1 1/20 0.42

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
SCHEMBL28821899 1.00 HDAC6 (0.48) HDAC6NPC1RAB9AKMT2APTGES
SCHEMBL20296414 0.93 HDAC6 (0.45) HDAC6NPC1RAB9AKMT2APTGES
SCHEMBL20296406 0.93 HDAC6 (0.53) HDAC6NPC1RAB9APTGESPTGS2
SCHEMBL20296780 0.90 HDAC6 (0.45) HDAC6NPC1RAB9APTGESPTGS2
SCHEMBL18344069 0.83
SCHEMBL18344021 0.83
SCHEMBL28821900 0.82 HDAC6 (0.49) HDAC6PTGESHRH3
SCHEMBL20296328 0.81 RAB9A (0.52) HDAC6RAB9APTGESPTGS2
SCHEMBL28821901 0.81 HRH3 (0.48) HDAC6PTGESHRH3
SCHEMBL3468711 0.81 HRH3 (0.52) HDAC6PTGESPTGS2HRH3

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
CN-107743483-B NADPH oxidase 4 inhibitors 埃科特莱茵药品有限公司 2022-01-28 CN claimed
CN-107743483-B NADPH oxidase 4 inhibitors 埃科特莱茵药品有限公司 2022-01-28 CN disclosed
US-10584118-B2 NADPH oxidase 4 inhibitors ACTELION PHARMACEUTICALS LTD (CH) 2020-03-10 US disclosed
US-20180179194-A1 NADPH OXIDASE 4 INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2018-06-28 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 (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-10584118-B2 NADPH oxidase 4 inhibitors NOX4, NOX1, CYBB HDAC6 303/4885NPC1 3120/4885RAB9A 2128/4885
US-20180179194-A1 NADPH OXIDASE 4 INHIBITORS NOX4, NOX1, CYBB HDAC6 303/4885NPC1 3120/4885RAB9A 2128/4885

“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.