SCHEMBL4063313

SCHEMBL4063313

NCc1ccc(CN(C2CCc3cccnc3C2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP2D6 P10635 3/20 0.38
NPY5R Q15761 2/20 0.37
DRD2 P14416 2/20 0.37
ADRA2C P18825 1/20 0.37
NPY1R P25929 1/20 0.37
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
PTPN1 P18031 2/20 0.36
MDM4 O15151 1/20 0.35
NFKBIA P25963 1/20 0.35
OPRK1 P41145 1/20 0.35
MDM2 Q00987 1/20 0.35
RELA Q04206 1/20 0.35
SLC40A1 Q9NP59 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2B Q13224 2/20 0.35

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
SCHEMBL27529328 0.84 MEN1 (0.36) MEN1KMT2ACYP2D6NPY5RDRD2
SCHEMBL4062126 0.83 MAPT (0.39) MEN1KMT2ANPY5RDRD2ADRA2C
SCHEMBL27529332 0.83 ALDH1A1 (0.37) MEN1KMT2ACYP2D6NPY5RDRD2
SCHEMBL4061273 0.81 ITGB1 (0.38) MEN1KMT2ACYP2D6NPY5RDRD2
SCHEMBL4065630 0.74 ALDH1A1 (0.51) MEN1KMT2ATP53PTPN1MDM4
SCHEMBL3311009 0.73 KCNA5 (0.40) MEN1KMT2ANPY5RDRD2ADRA2C
SCHEMBL14207347 0.72 GRIN2B (0.50) CYP2D6DRD2GRIN1GRIN2BCXCR4
SCHEMBL3310850 0.71 KCNA5 (0.54) MEN1KMT2APTPN1
SCHEMBL28986592 0.70 CYP2D6 (0.48) CYP2D6DRD2GRIN1GRIN2BCXCR4
SCHEMBL2858460 0.68 KMT2A (0.48) MEN1KMT2ATDP1ALDH1A1MAPT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1317443-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC (CA) 2009-01-14 EP disclosed
US-20080090846-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS GENZYME CORPORATION 2008-04-17 US disclosed
US-7312234-B2 Chemokine receptor binding heterocyclic compounds ANORMED (CA) 2007-12-25 US disclosed
US-20050026942-A1 Chemokine receptor binding heterocyclic compounds ANORMED (CA) 2005-02-03 US disclosed
US-6835731-B2 Viricides; antiinflammatory agents; antiallergens; antiarthritic agents ANORMED, INC. (CA) 2004-12-28 US disclosed
EP-1317443-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2003-06-11 EP disclosed
US-20020147192-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2002-10-10 US disclosed
WO-2002022599-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-20020147192-A1 Chemokine receptor binding heterocyclic compounds CCR2, CXCR3, ACKR3 MEN1 4441/4885KMT2A 4260/4885CYP2D6 1866/4885
US-20080090846-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS CCR2, CXCR3, ACKR3 MEN1 4441/4885KMT2A 4260/4885CYP2D6 1866/4885
US-20050026942-A1 Chemokine receptor binding heterocyclic compounds CCR2, CXCR3, ACKR3 MEN1 4441/4885KMT2A 4260/4885CYP2D6 1866/4885

“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.