SCHEMBL3311158

SCHEMBL3311158

CN(C)S(=O)(=O)n1c(CO)nc2c([N+](=O)[O-])cccc21

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PDE10A Q9Y233 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LCK P06239 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
PABPC1 P11940 1/20 0.36
TXNRD1 Q16881 1/20 0.35
TXNRD3 Q86VQ6 1/20 0.35
TXNRD2 Q9NNW7 1/20 0.35
ADORA2A P29274 2/20 0.35
GAA P10253 1/20 0.34
ADORA3 P0DMS8 2/20 0.34
ADORA1 P30542 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL10471311 0.67 DCTPP1 (0.44) DCTPP1SMN1; SMN2PDE10ALMNAMAPT
SCHEMBL6829860 0.66 DCTPP1 (0.48) DCTPP1PDE10ALMNAMAPTHTT
SCHEMBL3314086 0.65 SMN1; SMN2 (0.62) SMN1; SMN2LMNAMAPTHTTGAA
SCHEMBL6118818 0.64 DCTPP1 (0.54) DCTPP1SMN1; SMN2PDE10ALMNAMAPT
SCHEMBL6117870 0.64 DCTPP1 (0.64) DCTPP1SMN1; SMN2PDE10ALMNAMAPT
SCHEMBL7472806 0.63 PDE10A (0.45) DCTPP1SMN1; SMN2PDE10ALMNAMAPT
SCHEMBL2951988 0.62 PDE10A (0.47) DCTPP1SMN1; SMN2PDE10ALMNAMAPT
SCHEMBL10465863 0.62 DCTPP1 (0.44) DCTPP1PDE10ALMNAMAPTHTT
SCHEMBL10059158 0.62 ALDH1A1 (0.57) DCTPP1SMN1; SMN2LMNAMAPTHTT
SCHEMBL15826054 0.62 PDE10A (0.44) DCTPP1SMN1; SMN2PDE10AMAPTNOS1

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 DCTPP1 4834/4885SMN1; SMN2 3876/4885PDE10A 1894/4885
US-20100105915-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS CXCR4, CCR5, CXCR3 DCTPP1 2980/4885SMN1; SMN2 4819/4885PDE10A 1601/4885
US-20040235823-A1 Chemokine receptor binding heterocyclic compounds CCR5, CXCR4, CXCR1 DCTPP1 4816/4885SMN1; SMN2 3991/4885PDE10A 2803/4885

“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.