SCHEMBL3533008

SCHEMBL3533008

O=C(C=Cc1ccc2ncccc2c1)NO

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.66
HDAC6 Q9UBN7 9/20 0.66
HDAC3 O15379 6/20 0.66
HDAC4 P56524 6/20 0.66
HDAC7 Q8WUI4 6/20 0.66
HDAC2 Q92769 6/20 0.66
HDAC10 Q969S8 6/20 0.66
HDAC11 Q96DB2 6/20 0.66
HDAC8 Q9BY41 6/20 0.66
HDAC9 Q9UKV0 6/20 0.66
HDAC5 Q9UQL6 6/20 0.66
CYP3A4 P08684 3/20 0.65
MEN1 O00255 1/20 0.58
NPC1 O15118 1/20 0.58
MAPT P10636 1/20 0.58
CASP3 P42574 1/20 0.58
RAB9A P51151 1/20 0.58
KMT2A Q03164 1/20 0.58
ATM Q13315 1/20 0.58
SENP7 Q9BQF6 1/20 0.58

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
SCHEMBL3533005 1.00 HDAC1 (0.66) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL3529150 0.89 HDAC1 (0.66) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL3529147 0.89 HDAC1 (0.66) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL29085869 0.88 HDAC6 (0.59) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL29085866 0.85 HDAC1 (0.63) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL29761200 0.84 PABPC1 (0.66) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL21356144 0.84 PABPC1 (0.66) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL19631486 0.84 PABPC1 (0.66) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL12303150 0.84 HDAC1 (0.64) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL12251071 0.84 CYP3A4 (0.60) HDAC1HDAC6HDAC3HDAC4HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071620-B2 Carbamic acid compounds comprising a bicyclic heteroaryl group as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2011-12-06 US disclosed
US-20100093743-A1 CARBAMIC ACID COMPOUNDS COMPRISING A BICYCLIC HETEROARYL GROUP AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2010-04-15 US disclosed
US-7652036-B2 Carbamic acid compounds comprising a bicyclic heteroaryl group as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2010-01-26 US disclosed
US-20060079528-A1 (E)-3-(1,3-Benzoxazol-2-yl)-N-hydroxy-2-propenamide; Methyl (E)-3-(2-quinolinyl)-2-propenoate; histone deacetylase inhibitors; inflammatory disease; cancer TOPOTARGET UK LIMITED (GB) 2006-04-13 US disclosed
EP-1599449-A2 CARBAMIC ACID COMPOUNDS COMPRISING A BICYCLIC HETEROARYL GROUP AS HDAC INHIBITORS TopoTarget UK Limited (GB) 2005-11-30 EP disclosed
WO-2004076386-A2 CARBAMIC ACID COMPOUNDS COMPRISING A BICYCLIC HETEROARYL GROUP AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2004-09-10 WO 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 (2 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-20060079528-A1 (E)-3-(1,3-Benzoxazol-2-yl)-N-hydroxy-2-propenamide; Methyl (E)-3-(2-quinolinyl)-2-propenoate; histone deacetylase inhibitors; inflammatory disease; cancer HDAC1, HDAC11, HDAC5 HDAC1 1/4885HDAC6 10/4885HDAC3 6/4885
US-20100093743-A1 CARBAMIC ACID COMPOUNDS COMPRISING A BICYCLIC HETEROARYL GROUP AS HDAC INHIBITORS HDAC1, HDAC7, HDAC5 HDAC1 1/4885HDAC6 10/4885HDAC3 7/4885

“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.