SCHEMBL1027140

SCHEMBL1027140

COCCOCC(=O)N1CCc2cc(C(=O)NO)ccc2C1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 14/20 0.62
HDAC8 Q9BY41 4/20 0.62
HDAC1 Q13547 2/20 0.53
HDAC3 O15379 1/20 0.53
NAMPT P43490 3/20 0.49
KDM4E B2RXH2 1/20 0.47
KDM1A O60341 1/20 0.46

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
SCHEMBL1027671 0.95 HDAC6 (0.56) HDAC6HDAC8HDAC1HDAC3NAMPT
SCHEMBL1029161 0.80 HDAC6 (0.59) HDAC6HDAC8HDAC1HDAC3
SCHEMBL1028114 0.80 MAPT (0.61) HDAC6HDAC8HDAC1HDAC3
SCHEMBL2279957 0.79 NAMPT (0.44) HDAC6HDAC8NAMPTKDM4E
SCHEMBL1264127 0.79 HDAC6 (0.64) HDAC6HDAC8HDAC1HDAC3KDM1A
SCHEMBL2277596 0.79 HDAC6 (0.58) HDAC6HDAC8HDAC1HDAC3NAMPT
SCHEMBL1027560 0.78 HDAC6 (0.73) HDAC6HDAC8HDAC1HDAC3
SCHEMBL1263305 0.77 HDAC6 (1.00) HDAC6HDAC8HDAC1HDAC3
SCHEMBL1264708 0.76 HDAC6 (0.63) HDAC6HDAC8HDAC1HDAC3KDM1A
SCHEMBL2281130 0.76 HDAC6 (0.60) HDAC6HDAC8HDAC1HDAC3KDM1A

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 10 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-2274283-A1 NOVEL N-SUBSTITUTED TETRAHYDROISOQUINOLINE/ISOINDOLINE HYDROXAMIC ACID COMPOUNDS 4SC AG (DE) 2011-01-19 EP claimed
WO-2009112550-A1 NOVEL N-SUBSTITUTED TETRAHYDROISOQUINOLINE/ISOINDOLINE HYDROXAMIC ACID COMPOUNDS 4SC AG (DE) 2009-09-17 WO 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 10/4885HDAC1 1/4885

“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.