SCHEMBL1027359

SCHEMBL1027359

O=C(NO)c1ccc2c(c1)CN(C(=O)c1ccc(-c3ccccc3)cc1)C2

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 11/20 0.77
HDAC8 Q9BY41 8/20 0.60
NAMPT P43490 2/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
HPGD P15428 1/20 0.51
MAPK1 P28482 1/20 0.51
POLB P06746 1/20 0.51
PARP1 P09874 1/20 0.50
HDAC1 Q13547 2/20 0.49
HDAC3 O15379 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
SCHEMBL1264520 0.87 HDAC6 (1.00) HDAC6HDAC8MEN1KMT2AHPGD
SCHEMBL1080936 0.84 KMT2A (0.59) HDAC6NAMPTMEN1KMT2AHPGD
SCHEMBL17959069 0.81 HDAC6 (0.63) HDAC6HDAC8NAMPTHPGDPOLB
SCHEMBL17958992 0.81 HDAC6 (0.63) HDAC6HDAC8NAMPTHPGDPOLB
SCHEMBL7865006 0.80 HDAC6 (0.60) HDAC6HDAC8NAMPTMEN1KMT2A
SCHEMBL10224191 0.79 HDAC6 (0.67) HDAC6HDAC8MEN1KMT2AHPGD
SCHEMBL1081761 0.77 KMT2A (0.52) HDAC6HDAC8NAMPTMEN1KMT2A
SCHEMBL1264149 0.77 HDAC6 (0.68) HDAC6HDAC8MEN1KMT2AHDAC1
SCHEMBL3281507 0.77 HDAC6 (0.69) HDAC6NAMPTMEN1KMT2AHPGD
SCHEMBL12210556 0.76 HDAC6 (1.00) HDAC6HDAC8MEN1KMT2AHPGD

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 HDAC6 7/4885HDAC8 10/4885NAMPT 980/4885

“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.