SCHEMBL4031052

SCHEMBL4031052

O=[N+]([O-])c1cccc(S(=O)(=O)NCCCOCCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.76
MEN1 O00255 3/20 0.76
L3MBTL1 Q9Y468 2/20 0.67
ALDH1A1 P00352 5/20 0.65
EPHX2 P34913 1/20 0.62
CYP19A1 P11511 1/20 0.61
POLB P06746 2/20 0.60
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
MMP1 P03956 1/20 0.57
MMP2 P08253 1/20 0.57
MMP9 P14780 1/20 0.57
MMP8 P22894 1/20 0.57
MMP13 P45452 1/20 0.57
TSHR P16473 1/20 0.53
GAA P10253 1/20 0.53
HTT P42858 1/20 0.53
F13A1 P00488 1/20 0.52
MAPT P10636 2/20 0.51
LMNA P02545 1/20 0.51

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
Dinsed SCHEMBL1814194 0.87 KMT2A (1.00) KMT2AMEN1L3MBTL1ALDH1A1CYP19A1
SCHEMBL5152165 0.85 KMT2A (0.78) KMT2AMEN1L3MBTL1ALDH1A1EPHX2
SCHEMBL5149362 0.85 KMT2A (0.78) KMT2AMEN1L3MBTL1ALDH1A1EPHX2
SCHEMBL2034554 0.85 KMT2A (0.78) KMT2AMEN1L3MBTL1ALDH1A1EPHX2
SCHEMBL17261002 0.84 MEN1 (0.76) KMT2AMEN1L3MBTL1ALDH1A1EPHX2
SCHEMBL4070269 0.84 KMT2A (0.76) KMT2AMEN1L3MBTL1ALDH1A1EPHX2
SCHEMBL5151920 0.83 MEN1 (0.74) KMT2AMEN1L3MBTL1ALDH1A1EPHX2
SCHEMBL3025870 0.82 KMT2A (0.83) KMT2AMEN1L3MBTL1ALDH1A1CYP19A1
SCHEMBL27625297 0.82 KMT2A (0.83) KMT2AMEN1L3MBTL1ALDH1A1CYP19A1
SCHEMBL3973449 0.82 MEN1 (0.72) KMT2AMEN1L3MBTL1ALDH1A1CYP19A1

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-1244648-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS GENZYME CORP (US) 2009-04-15 EP disclosed
US-20070060591-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2007-03-15 US disclosed
US-7022717-B2 Chemokine receptor binding heterocyclic compounds ANORMED, INC. (CA) 2006-04-04 US disclosed
US-20060069129-A1 Chemokine receptor binding heterocyclic compounds BRIDGER GARY J 2006-03-30 US disclosed
US-20040102428-A1 Chemokine receptor binding heterocyclic compounds ANORMED CORPORATION (CA) 2004-05-27 US disclosed
US-6667320-B2 For therapy of infalmmation; asthma, cancer, arthritis, multiple sclerosis; prophylaxis of infection of target cells by a human immunodeficiency virus (HIV) ANORMED (CA) 2003-12-23 US disclosed
EP-1244648-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2002-10-02 EP disclosed
US-20020077339-A1 Chemokine receptor binding heterocyclic compounds ANORMED CORPORATION (CA) 2002-06-20 US disclosed
WO-2001044229-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2001-06-21 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 (4 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-20070060591-A1 Chemokine receptor binding heterocyclic compounds CCR5, ACKR3, CCR2 KMT2A 2209/4885MEN1 3670/4885L3MBTL1 1963/4885
US-20040102428-A1 Chemokine receptor binding heterocyclic compounds CCR5, ACKR3, CCR2 KMT2A 2209/4885MEN1 3670/4885L3MBTL1 1963/4885
US-20020077339-A1 Chemokine receptor binding heterocyclic compounds CCR5, ACKR3, CCR2 KMT2A 2209/4885MEN1 3670/4885L3MBTL1 1963/4885
US-20060069129-A1 Chemokine receptor binding heterocyclic compounds CCR5, ACKR3, CCR2 KMT2A 2209/4885MEN1 3670/4885L3MBTL1 1963/4885

“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.