SCHEMBL1027651

SCHEMBL1027651

O=C(NO)c1ccc2c(c1)CCN(C(=O)Cc1ccccn1)C2

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 15/20 0.54
HDAC8 Q9BY41 4/20 0.54
KDM4E B2RXH2 1/20 0.53
HTT P42858 1/20 0.53
HDAC3 O15379 1/20 0.51
HDAC1 Q13547 1/20 0.51
ESR1 P03372 1/20 0.46
NAMPT P43490 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KDM1A O60341 1/20 0.44

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
Hydrochloric Acid SCHEMBL1027434 0.99 HDAC6 (0.53) HDAC6HDAC8KDM4EHTTHDAC3
SCHEMBL1025763 0.96 KDM4E (0.53) HDAC6HDAC8KDM4EHTTHDAC3
Hydrochloric Acid SCHEMBL2278289 0.95 KDM4E (0.52) HDAC6HDAC8KDM4EHTTHDAC3
SCHEMBL10577926 0.84 KDM4E (0.67) KDM4EHTTHDAC3HDAC1NPC1
SCHEMBL6961377 0.83 KDM4E (0.53) KDM4EHTTESR1NAMPTNPC1
SCHEMBL1264115 0.83 HDAC6 (0.60) HDAC6HDAC8HDAC3HDAC1NPC1
SCHEMBL1083136 0.80 HDAC6 (0.53) HDAC6HDAC8HDAC3HDAC1NPC1
SCHEMBL1026241 0.79 KDM4E (0.42) HDAC6KDM4EHTTESR1NAMPT
SCHEMBL1264149 0.79 HDAC6 (0.68) HDAC6HDAC8HDAC3HDAC1NPC1
Hydrochloric Acid SCHEMBL2282482 0.79 HDAC6 (0.52) HDAC6HDAC8HDAC3HDAC1NAMPT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016120432-A1 COMPOUNDS AND METHODS FOR ANTICOAGULATION THERAPY FUNDACIÓN PARA LA INVESTIGACIÓN MÉDICA APLICADA (ES) 2016-08-04 WO claimed
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-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 10/4885KDM4E 185/4885

“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.