SCHEMBL2283261

SCHEMBL2283261

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

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 10/20 0.53
POLB P06746 1/20 0.53
HDAC8 Q9BY41 3/20 0.52
NAMPT P43490 3/20 0.49
LMNA P02545 1/20 0.49
KDM1A O60341 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.46
MAP3K5 Q99683 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
SCHEMBL2277596 0.96 HDAC6 (0.58) HDAC6POLBHDAC8NAMPTLMNA
SCHEMBL1073298 0.83 HDAC6 (0.54) HDAC6HDAC8KDM1AHDAC3HDAC1
SCHEMBL12922758 0.81 HDAC6 (0.62) HDAC6HDAC8NAMPTHDAC3HDAC1
SCHEMBL1028529 0.80 HDAC6 (0.56) HDAC6HDAC8NAMPTHDAC3HDAC1
SCHEMBL1026449 0.80 NAMPT (0.56) HDAC6HDAC8NAMPTHDAC3HDAC1
SCHEMBL1026981 0.80 POLB (0.42) HDAC6POLBNAMPTLMNAKDM4E
SCHEMBL1024843 0.80 HDAC6 (0.64) HDAC6HDAC8KDM1AHDAC3HDAC1
SCHEMBL1027671 0.79 HDAC6 (0.56) HDAC6HDAC8NAMPTKDM1AHDAC3
SCHEMBL1029161 0.79 HDAC6 (0.59) HDAC6POLBHDAC8HDAC3HDAC1
SCHEMBL442303 0.77 NAMPT (0.58) HDAC6NAMPTHDAC1ALDH1A1

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 6 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-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 7/4885POLB 2062/4885HDAC8 10/4885

“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.