SCHEMBL1028529

SCHEMBL1028529

O=C(NO)c1ccc2c(c1)CN(C(=O)NCCc1ccccc1)CC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 7/20 0.56
HDAC8 Q9BY41 3/20 0.54
HDAC2 Q92769 3/20 0.54
HDAC1 Q13547 2/20 0.54
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
KMT2A Q03164 1/20 0.53
NAMPT P43490 5/20 0.51
MAPT P10636 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49

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
SCHEMBL12895838 0.96 HDAC6 (0.56) HDAC6HDAC8HDAC2HDAC1HDAC3
SCHEMBL1028559 0.84 KMT2A (0.59) HDAC6HDAC8HDAC2HDAC1HDAC3
SCHEMBL2283261 0.80 HDAC6 (0.53) HDAC6HDAC8HDAC1HDAC3NAMPT
SCHEMBL1026449 0.80 NAMPT (0.56) HDAC6HDAC8HDAC1HDAC3SMN1; SMN2
SCHEMBL724496 0.80 NAMPT (0.47) HDAC6HDAC8HDAC2HDAC1HDAC3
SCHEMBL12922758 0.79 HDAC6 (0.62) HDAC6HDAC8HDAC1HDAC3NAMPT
SCHEMBL1029594 0.79 SMN1; SMN2 (0.41) SMN1; SMN2MEN1NPC1KMT2ANAMPT
SCHEMBL17117223 0.77 NAMPT (0.82) SMN1; SMN2MEN1NPC1KMT2ANAMPT
SCHEMBL2275946 0.77 NAMPT (0.60) HDAC6HDAC8HDAC2HDAC1HDAC3
SCHEMBL1024843 0.77 HDAC6 (0.64) HDAC6HDAC8HDAC1HDAC3HDAC11

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 7 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-2274283-A1 NOVEL N-SUBSTITUTED TETRAHYDROISOQUINOLINE/ISOINDOLINE HYDROXAMIC ACID COMPOUNDS 4SC AG (DE) 2011-01-19 EP 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 10/4885HDAC2 5/4885

“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.