SCHEMBL4065630

SCHEMBL4065630

NCc1ccc(CN(c2ccccn2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
KDM4E B2RXH2 4/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
TP53 P04637 1/20 0.45
RXFP1 Q9HBX9 1/20 0.43
PTPN1 P18031 2/20 0.42
MDM4 O15151 1/20 0.39
NFKBIA P25963 1/20 0.39
OPRK1 P41145 1/20 0.39
MDM2 Q00987 1/20 0.39
RELA Q04206 1/20 0.39
SLC40A1 Q9NP59 1/20 0.39

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
SCHEMBL3310850 0.81 KCNA5 (0.54) MEN1KMT2AMAPK1PTPN1
SCHEMBL4063313 0.74 MEN1 (0.41) ALDH1A1MEN1KMT2ATDP1L3MBTL1
SCHEMBL2122260 0.73 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL2120039 0.72 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AKDM4ETDP1
SCHEMBL2119077 0.72 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL16673663 0.71 KMT2A (0.57) ALDH1A1MEN1KMT2ATDP1PTPN1
SCHEMBL2119402 0.71 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL16499801 0.71 KMT2A (0.57) ALDH1A1MEN1KMT2ATDP1PTPN1
SCHEMBL2470278 0.70 KCNA5 (0.54) MEN1KMT2APTPN1
SCHEMBL4069164 0.70 CXCR3 (0.49) MEN1KMT2APTPN1CYP19A1

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
EP-1317445-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC (CA) 2009-03-11 EP disclosed
US-7396840-B2 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION (US) 2008-07-08 US disclosed
US-7084155-B2 Chemokine receptor binding heterocyclic compounds ANORMED (CA) 2006-08-01 US disclosed
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2006-06-15 US disclosed
US-6864265-B2 Chemokine receptor binding heterocyclic compounds ANORMED, INC. (CA) 2005-03-08 US disclosed
US-20040220207-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2004-11-04 US disclosed
EP-1317445-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2003-06-11 EP disclosed
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2003-01-23 US disclosed
WO-2002022600-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2002-03-21 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-20040220207-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 ALDH1A1 1755/4885SMN1; SMN2 4802/4885MEN1 4289/4885
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds CXCR4, CCR5, CXCR3 ALDH1A1 2001/4885SMN1; SMN2 4697/4885MEN1 4595/4885
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 ALDH1A1 1755/4885SMN1; SMN2 4802/4885MEN1 4289/4885

“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.