SCHEMBL1028087

SCHEMBL1028087

O=C(NO)c1ccc2c(c1)CCN(C(=O)C1CCC1)C2

nearest known ligand 0.93

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 17/20 0.93
HDAC8 Q9BY41 4/20 0.62
KEAP1 Q14145 1/20 0.58
HDAC1 Q13547 2/20 0.55
HDAC3 O15379 1/20 0.55
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL1262847 0.97 HDAC6 (0.97) HDAC6HDAC8KEAP1HDAC1HDAC3
SCHEMBL1262890 0.96 HDAC6 (1.00) HDAC6HDAC8KEAP1HDAC1HDAC3
SCHEMBL1264461 0.96 HDAC6 (1.00) HDAC6HDAC8KEAP1HDAC1HDAC3
SCHEMBL1081635 0.95 HDAC6 (0.84) HDAC6HDAC8KEAP1HDAC1HDAC3
SCHEMBL1081728 0.95 HDAC6 (0.88) HDAC6HDAC8KEAP1HDAC1HDAC3
SCHEMBL1264330 0.90 HDAC6 (1.00) HDAC6HDAC8KEAP1HDAC1HDAC3
SCHEMBL1263845 0.90 HDAC6 (1.00) HDAC6HDAC8KEAP1HDAC1HDAC3
SCHEMBL1264104 0.88 HDAC6 (0.77) HDAC6HDAC8KEAP1HDAC1HDAC3
SCHEMBL1264524 0.85 HDAC6 (0.81) HDAC6HDAC8KEAP1HDAC1
SCHEMBL1024813 0.84 HDAC6 (0.71) HDAC6HDAC8HDAC1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575193-B2 N-substituted tetrahydroisoquinoline/isoindoline hydroxamic acid compounds 4SC AG (DE) 2013-11-05 US claimed
US-20110201643-A1 NOVEL N-SUBSTITUTED TETRAHYDROISOQUINOLINE/ISOINDOLINE HYDROXAMIC ACID COMPOUNDS 4SC AG (DE) 2011-08-18 US claimed
EP-2100879-A1 Novel N-substituted tetrahydroisoquinoline/isoindoline hydroxamic acid compounds 4SC AG (DE) 2009-09-16 EP claimed
US-8575193-B2 N-substituted tetrahydroisoquinoline/isoindoline hydroxamic acid compounds 4SC AG (DE) 2013-11-05 US disclosed
US-20110201643-A1 NOVEL N-SUBSTITUTED TETRAHYDROISOQUINOLINE/ISOINDOLINE HYDROXAMIC ACID COMPOUNDS 4SC AG (DE) 2011-08-18 US disclosed
EP-2274283-A1 NOVEL N-SUBSTITUTED TETRAHYDROISOQUINOLINE/ISOINDOLINE HYDROXAMIC ACID COMPOUNDS 4SC AG (DE) 2011-01-19 EP disclosed
WO-2009112550-A1 NOVEL N-SUBSTITUTED TETRAHYDROISOQUINOLINE/ISOINDOLINE HYDROXAMIC ACID COMPOUNDS 4SC AG (DE) 2009-09-17 WO disclosed
EP-2100879-A1 Novel N-substituted tetrahydroisoquinoline/isoindoline hydroxamic acid compounds 4SC AG (DE) 2009-09-16 EP 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-20110201643-A1 NOVEL N-SUBSTITUTED TETRAHYDROISOQUINOLINE/ISOINDOLINE HYDROXAMIC ACID COMPOUNDS HDAC1, HDAC3, HDAC4 HDAC6 7/4885HDAC8 10/4885KEAP1 1417/4885

“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.