SCHEMBL1028559

SCHEMBL1028559

O=C(NO)c1ccc2c(c1)CCN(C(=O)NCc1ccccc1)C2

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
MEN1 O00255 1/20 0.59
NPC1 O15118 1/20 0.59
HDAC6 Q9UBN7 14/20 0.58
HDAC8 Q9BY41 7/20 0.57
HDAC1 Q13547 3/20 0.57
HDAC10 Q969S8 2/20 0.57
HDAC3 O15379 2/20 0.57
HDAC11 Q96DB2 1/20 0.57
HDAC5 Q9UQL6 1/20 0.57
HDAC2 Q92769 2/20 0.52
MAPT P10636 1/20 0.51
CACNA1G O43497 1/20 0.51
CACNA1H O95180 1/20 0.51
CACNA1I Q9P0X4 1/20 0.51
NAMPT P43490 1/20 0.50

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
SCHEMBL12895851 0.89 HDAC6 (0.58) KMT2ATDP1MEN1NPC1HDAC6
SCHEMBL12895838 0.89 HDAC6 (0.56) KMT2AMEN1NPC1HDAC6HDAC8
SCHEMBL1028529 0.84 HDAC6 (0.56) KMT2AMEN1NPC1HDAC6HDAC8
SCHEMBL1264115 0.83 HDAC6 (0.60) KMT2AMEN1NPC1HDAC6HDAC8
SCHEMBL7860196 0.82 RAB9A (0.57) KMT2AMEN1NPC1HDAC6HDAC8
SCHEMBL12923174 0.82 RAB9A (0.69) KMT2AMEN1NPC1HDAC6HDAC8
SCHEMBL1026449 0.81 NAMPT (0.56) NPC1HDAC6HDAC8HDAC1HDAC3
SCHEMBL12922758 0.81 HDAC6 (0.62) HDAC6HDAC8HDAC1HDAC3NAMPT
SCHEMBL1980829 0.81 HDAC6 (0.53) KMT2ATDP1MEN1NPC1HDAC6
SCHEMBL1082437 0.81 TMEM97 (0.64) HDAC6HDAC8HDAC1HDAC10HDAC3

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 KMT2A 60/4885TDP1 1124/4885MEN1 3713/4885

“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.