SCHEMBL1028176

SCHEMBL1028176

CN(C)CCCC(=O)N1CCc2cc(C(=O)NOC3CCCCO3)ccc2C1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 8/20 0.42
HDAC8 Q9BY41 1/20 0.40
JAK2 O60674 1/20 0.39
FLT3 P36888 1/20 0.39
SGPL1 O95470 1/20 0.37
S1PR1 P21453 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MCHR1 Q99705 2/20 0.37
HSP90AA1 P07900 1/20 0.37
DPP4 P27487 2/20 0.36
SIGMAR1 Q99720 1/20 0.36
KDM4E B2RXH2 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
KDM1A O60341 1/20 0.36

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
SCHEMBL1082426 0.97 KDM4E (0.40) HDAC6RAB9ASMN1; SMN2MCHR1DPP4
SCHEMBL2279778 0.84 HDAC6 (0.48) HDAC6HDAC8MCHR1
SCHEMBL2279957 0.83 NAMPT (0.44) HDAC6HDAC8SMN1; SMN2KDM4E
SCHEMBL1027650 0.83 HDAC6 (0.47) HDAC6HDAC8
SCHEMBL2273673 0.82 HDAC6 (0.61) HDAC6HDAC8MCHR1KDM4E
SCHEMBL1027131 0.81 HDAC6 (0.45) HDAC6HDAC8
SCHEMBL1076843 0.81 CPT2 (0.49) SMN1; SMN2KDM4E
SCHEMBL2275604 0.81 HDAC6 (0.42) HDAC6HDAC8MCHR1SIGMAR1
SCHEMBL2278219 0.81 HDAC6 (0.62) HDAC6HDAC8KDM4E
SCHEMBL2278277 0.81 HDAC6 (0.44) HDAC6HDAC8MCHR1

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 5 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 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 10/4885JAK2 875/4885

“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.