SCHEMBL1027650

SCHEMBL1027650

CNC(=O)N1CCc2cc(C(=O)NOC3CCCCO3)ccc2C1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 8/20 0.47
HDAC8 Q9BY41 2/20 0.44
HRH3 Q9Y5N1 2/20 0.40
POLB P06746 1/20 0.39
GSTP1 P09211 1/20 0.39
GSTM2 P28161 1/20 0.39
NAMPT P43490 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
TMPRSS2 O15393 2/20 0.38
ENPP2 Q13822 1/20 0.37
SMYD3 Q9H7B4 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4D Q08499 1/20 0.37

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
SCHEMBL1026122 0.96 HDAC6 (0.43) HDAC6HDAC8HRH3POLBGSTP1
SCHEMBL2279778 0.90 HDAC6 (0.48) HDAC6HDAC8GSTP1GSTM2HDAC3
SCHEMBL2273673 0.87 HDAC6 (0.61) HDAC6HDAC8POLBGSTP1GSTM2
SCHEMBL1027131 0.87 HDAC6 (0.45) HDAC6HDAC8HDAC3HDAC1TMPRSS2
SCHEMBL2278219 0.86 HDAC6 (0.62) HDAC6HDAC8GSTP1GSTM2HDAC1
SCHEMBL2278277 0.86 HDAC6 (0.44) HDAC6HDAC8HRH3GSTP1GSTM2
SCHEMBL1081890 0.86 POLB (0.42) HDAC6HDAC8POLBNAMPT
SCHEMBL1025307 0.85 KMT2A (0.46) HDAC6HDAC8HRH3POLBNAMPT
SCHEMBL1082528 0.83 HDAC6 (0.53) HDAC6HDAC8NAMPTENPP2
SCHEMBL1028176 0.83 HDAC6 (0.42) HDAC6HDAC8

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 10/4885HRH3 186/4885

“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.