SCHEMBL3310873

SCHEMBL3310873

CCOC(=O)Nc1cncc(NC(=O)OCC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.56
MAPK1 P28482 2/20 0.55
LMNA P02545 1/20 0.55
MAPT P10636 1/20 0.55
HSD17B10 Q99714 1/20 0.55
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
NPC1 O15118 3/20 0.49
RAB9A P51151 2/20 0.49
HTT P42858 2/20 0.49
ALDH1A1 P00352 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
HPGD P15428 1/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
NLRP3 Q96P20 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
F2R P25116 1/20 0.48

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
SCHEMBL17199511 0.91 KDM4E (0.51) KDM4EMAPK1LMNAMAPTHSD17B10
SCHEMBL5342000 0.89 SMN1; SMN2 (0.51) KDM4EMAPK1LMNAMAPTHSD17B10
SCHEMBL17174227 0.87 KDM4E (0.48) KDM4EMAPK1LMNAMAPTHSD17B10
SCHEMBL29428097 0.87 CYP2C9 (0.60) KDM4EMAPK1LMNAMAPTHSD17B10
SCHEMBL17174934 0.87 KDM4E (0.48) KDM4EMAPK1LMNAMAPTHSD17B10
SCHEMBL11767621 0.86 KDM4E (0.70) KDM4EMAPK1LMNAMAPTHSD17B10
SCHEMBL24202501 0.86 KDM4E (0.47) KDM4EMAPK1LMNAMAPTHSD17B10
SCHEMBL27837974 0.80 SMN1; SMN2 (0.50) KDM4EMAPK1LMNAMAPTHSD17B10
SCHEMBL1476025 0.80 MAPT (0.51) KDM4EMAPK1LMNAMAPTHSD17B10
SCHEMBL966665 0.80 NPC1 (0.59) KDM4EMAPK1LMNAMAPTHSD17B10

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
US-20100105915-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2010-04-29 US disclosed
US-7629337-B2 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION (US) 2009-12-08 US disclosed
US-7183273-B2 Chemokine receptor binding heterocyclic compounds ANORMED, INC. (CA) 2007-02-27 US disclosed
US-20060264434-A1 Chemokine receptor binding heterocyclic compounds ANORMED INC. (CA) 2006-11-23 US disclosed
EP-1163238-B1 CHEMOKINE RECPETOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC (CA) 2006-05-31 EP disclosed
US-20040235823-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2004-11-25 US disclosed
US-6750348-B1 PROTECTIVE EFFECTS AGAINST INFECTION BY HIV THROUGH BINDING TO CHEMOKINE RECEPTORS, INCLUDING CXCR4 AND CCR5;N-(2-PYRIDINYLMETHYL)-N'-(2-(PHENYLUREIDO)ETHYL)-N'-(5,6,7,8-TETRAHYDRO-8-QUINOLINYL)-1,4-BENZENEDIMETHANAMINE ANORMED, INC. (CA) 2004-06-15 US disclosed
EP-1163238-A1 CHEMOKINE RECPETOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2001-12-19 EP disclosed
WO-2000056729-A1 CHEMOKINE RECPETOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2000-09-28 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 (3 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-20060264434-A1 Chemokine receptor binding heterocyclic compounds CCR5, CXCR4, CXCR1 KDM4E 4279/4885MAPK1 824/4885LMNA 4549/4885
US-20100105915-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS CXCR4, CCR5, CXCR3 KDM4E 4575/4885MAPK1 1605/4885LMNA 4722/4885
US-20040235823-A1 Chemokine receptor binding heterocyclic compounds CCR5, CXCR4, CXCR1 KDM4E 4473/4885MAPK1 695/4885LMNA 4748/4885

“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.