SCHEMBL3532094

SCHEMBL3532094

O=C(/C=C/c1ccc2ccccc2n1)NO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 11/20 1.00
HDAC8 Q9BY41 10/20 1.00
HDAC2 Q92769 8/20 1.00
HDAC1 Q13547 8/20 1.00
HDAC3 O15379 5/20 1.00
HDAC4 P56524 5/20 1.00
HDAC7 Q8WUI4 5/20 1.00
HDAC10 Q969S8 5/20 1.00
HDAC11 Q96DB2 5/20 1.00
HDAC9 Q9UKV0 5/20 1.00
HDAC5 Q9UQL6 5/20 1.00
KDM4E B2RXH2 5/20 0.69
LMNA P02545 5/20 0.69
MAPT P10636 3/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
CYP1A2 P05177 1/20 0.67
CYP2C19 P33261 1/20 0.67
HTT P42858 1/20 0.67
PFKFB3 Q16875 1/20 0.58
HCAR2 Q8TDS4 1/20 0.57

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
SCHEMBL3532100 1.00 HDAC6 (1.00) HDAC6HDAC8HDAC2HDAC1HDAC3
SCHEMBL3537987 0.89 HDAC6 (0.81) HDAC6HDAC8HDAC2HDAC1HDAC3
SCHEMBL3537989 0.89 HDAC6 (0.81) HDAC6HDAC8HDAC2HDAC1HDAC3
SCHEMBL902324 0.81 LMNA (1.00) HDAC6HDAC8HDAC2HDAC1HDAC3
SCHEMBL372572 0.81 LMNA (1.00) HDAC6HDAC8HDAC2HDAC1HDAC3
SCHEMBL3531963 0.80 HDAC8 (0.67) HDAC6HDAC8HDAC2HDAC1HDAC3
SCHEMBL3531959 0.80 HDAC8 (0.67) HDAC6HDAC8HDAC2HDAC1HDAC3
SCHEMBL6890723 0.80 LMNA (1.00) HDAC6HDAC8HDAC2HDAC1HDAC3
SCHEMBL6890727 0.80 LMNA (1.00) HDAC6HDAC8HDAC2HDAC1HDAC3
SCHEMBL5717630 0.80 LMNA (0.73) HDAC6HDAC8HDAC2HDAC1HDAC3

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 12 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-8071620-B2 Carbamic acid compounds comprising a bicyclic heteroaryl group as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2011-12-06 US disclosed
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-20100093743-A1 CARBAMIC ACID COMPOUNDS COMPRISING A BICYCLIC HETEROARYL GROUP AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2010-04-15 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-7652036-B2 Carbamic acid compounds comprising a bicyclic heteroaryl group as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2010-01-26 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 HDAC6 10/4885HDAC8 4/4885HDAC2 7/4885
US-20100093743-A1 CARBAMIC ACID COMPOUNDS COMPRISING A BICYCLIC HETEROARYL GROUP AS HDAC INHIBITORS HDAC1, HDAC7, HDAC5 HDAC6 10/4885HDAC8 4/4885HDAC2 6/4885

“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.