SCHEMBL20296589

SCHEMBL20296589

NC(=O)c1ccc2oc(N3CCC3c3ccccc3)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 3/20 0.47
▸ NPC1 O15118 4/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ PTGES O14684 1/20 0.41
▸ ELANE P08246 2/20 0.41
▸ CHRNA7 P36544 1/20 0.39
▸ HTR3A P46098 1/20 0.39

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
SCHEMBL18344036 0.83 NPC1 (0.44) NPC1RAB9A
SCHEMBL20296507 0.79 HDAC6 (0.48) HDAC6PTGES
SCHEMBL29361121 0.77 MAPT (0.51) HDAC6NPC1RAB9A
SCHEMBL20296406 0.76 HDAC6 (0.53) HDAC6NPC1RAB9APTGES
SCHEMBL18344035 0.76 ELANE (0.35) HDAC6NPC1RAB9AELANE
SCHEMBL28821900 0.75 HDAC6 (0.49) HDAC6PTGES
SCHEMBL20296739 0.75 SLC6A9 (0.41) NPC1RAB9A
SCHEMBL3468711 0.74 HRH3 (0.52) HDAC6PTGES
SCHEMBL28821899 0.74 HDAC6 (0.48) HDAC6NPC1RAB9APTGES
SCHEMBL20296307 0.74 HDAC6 (0.48) HDAC6NPC1RAB9APTGES

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 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-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.

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