SCHEMBL3581803

SCHEMBL3581803

O=C(/C=C/c1cnc2ccccc2c1)NO

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.71
KDM4E B2RXH2 2/20 0.68
KMT2A Q03164 2/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
HDAC1 Q13547 9/20 0.65
HDAC6 Q9UBN7 9/20 0.65
HDAC2 Q92769 8/20 0.65
HDAC8 Q9BY41 8/20 0.65
HDAC3 O15379 6/20 0.65
HDAC4 P56524 6/20 0.65
HDAC7 Q8WUI4 5/20 0.65
HDAC10 Q969S8 5/20 0.65
HDAC11 Q96DB2 5/20 0.65
HDAC9 Q9UKV0 5/20 0.65
HDAC5 Q9UQL6 5/20 0.65
ALDH1A1 P00352 3/20 0.64
GAA P10253 2/20 0.64
LMNA P02545 1/20 0.64
MAPT P10636 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64

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
SCHEMBL3581806 1.00 RAB9A (0.71) RAB9AKDM4EKMT2ASMN1; SMN2HDAC1
SCHEMBL29085844 0.84 HDAC1 (0.58) RAB9AKDM4EKMT2ASMN1; SMN2HDAC1
SCHEMBL372256 0.83 RAB9A (1.00) RAB9AKDM4EKMT2ASMN1; SMN2HDAC1
SCHEMBL17461333 0.83 RAB9A (1.00) RAB9AKDM4EKMT2ASMN1; SMN2HDAC1
SCHEMBL372255 0.83 RAB9A (1.00) RAB9AKDM4EKMT2ASMN1; SMN2HDAC1
SCHEMBL19631297 0.83 HDAC6 (0.69) RAB9AKDM4ESMN1; SMN2HDAC1HDAC6
SCHEMBL4936531 0.82 RAB9A (0.75) RAB9AKDM4EKMT2ASMN1; SMN2HDAC1
Hydrochloric Acid SCHEMBL6788092 0.82 RAB9A (0.97) RAB9AKDM4EKMT2ASMN1; SMN2HDAC1
SCHEMBL6421749 0.82 RAB9A (0.75) RAB9AKDM4EKMT2ASMN1; SMN2HDAC1
Hydrochloric Acid SCHEMBL7262691 0.82 RAB9A (0.97) RAB9AKDM4EKMT2ASMN1; SMN2HDAC1

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 RAB9A 2540/4885KDM4E 35/4885KMT2A 65/4885
US-20100093743-A1 CARBAMIC ACID COMPOUNDS COMPRISING A BICYCLIC HETEROARYL GROUP AS HDAC INHIBITORS HDAC1, HDAC7, HDAC5 RAB9A 1482/4885KDM4E 72/4885KMT2A 59/4885

“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.