SCHEMBL1027671

SCHEMBL1027671

COCCOCC(=O)N1CCc2ccc(C(=O)NO)cc2C1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 14/20 0.56
HDAC8 Q9BY41 3/20 0.56
KDM4E B2RXH2 1/20 0.53
KDM1A O60341 4/20 0.50
NPSR1 Q6W5P4 1/20 0.49
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
NAMPT P43490 2/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL1027140 0.95 HDAC6 (0.62) HDAC6HDAC8KDM4EKDM1AHDAC3
SCHEMBL1073298 0.80 HDAC6 (0.54) HDAC6HDAC8KDM4EKDM1ANPSR1
SCHEMBL2278317 0.79 KDM4E (0.42) HDAC6HDAC8KDM4ENPSR1NAMPT
SCHEMBL2283261 0.79 HDAC6 (0.53) HDAC6HDAC8KDM4EKDM1AHDAC3
SCHEMBL1076363 0.78 HDAC6 (0.67) HDAC6HDAC8KDM1AHDAC3HDAC1
SCHEMBL2281138 0.76 HDAC6 (0.56) HDAC6HDAC8KDM4EKDM1AHDAC3
SCHEMBL1024843 0.75 HDAC6 (0.64) HDAC6HDAC8KDM1AHDAC3HDAC1
SCHEMBL2279957 0.75 NAMPT (0.44) HDAC6HDAC8KDM4ENAMPTMEN1
SCHEMBL1028114 0.75 MAPT (0.61) HDAC6HDAC8HDAC3HDAC1MEN1
Hydrochloric Acid SCHEMBL1026159 0.75 HDAC6 (0.55) HDAC6HDAC8KDM4EKDM1AHDAC3

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 10/4885KDM4E 185/4885

“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.