SCHEMBL20296507

SCHEMBL20296507

NC(=O)c1ccc2oc(N3CC(c4ccccc4)C3)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 3/20 0.48
▸ PTGES O14684 1/20 0.43
▸ HCRTR1 O43613 2/20 0.42
▸ HCRTR2 O43614 2/20 0.42
▸ LMNA P02545 1/20 0.41
▸ TSHR P16473 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
SCHEMBL20296780 0.85 HDAC6 (0.45) HDAC6PTGESHCRTR1HCRTR2
SCHEMBL18344119 0.83 — —
SCHEMBL28821900 0.80 HDAC6 (0.49) HDAC6PTGES
SCHEMBL20296589 0.79 HDAC6 (0.47) HDAC6PTGES
SCHEMBL28821901 0.79 HRH3 (0.48) HDAC6PTGES
SCHEMBL20296307 0.79 HDAC6 (0.48) HDAC6PTGES
SCHEMBL28821899 0.79 HDAC6 (0.48) HDAC6PTGES
SCHEMBL20296332 0.78 CNR2 (0.43) HDAC6
SCHEMBL20296395 0.78 ACACB (0.43) HDAC6HCRTR1HCRTR2LMNATSHR
SCHEMBL20296406 0.78 HDAC6 (0.53) HDAC6PTGES

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 303/4885PTGES 200/4885HCRTR1 2192/4885

“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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