SCHEMBL2616490

SCHEMBL2616490

O=C(c1nccs1)c1cc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.65
ALDH1A1 P00352 4/20 0.55
GCK P35557 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
AGTR1 P30556 1/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
POLB P06746 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
KCNMA1 Q12791 1/20 0.42
FTO Q9C0B1 1/20 0.41

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
SCHEMBL1207703 0.81 ALDH1A1 (0.48) KMT2AALDH1A1SMN1; SMN2KDM4EHTT
SCHEMBL343646 0.81 GCK (0.61) KMT2AALDH1A1GCKSMN1; SMN2MEN1
SCHEMBL14419230 0.79 KCNMA1 (0.60) KMT2AALDH1A1GCKKDM4ELMNA
SCHEMBL11711950 0.76 VCAM1 (0.64) KMT2AALDH1A1SMN1; SMN2MEN1LMNA
SCHEMBL14419236 0.75 KCNMA1 (0.64) ALDH1A1KDM4ELMNAMAPTL3MBTL1
SCHEMBL10396627 0.74 ALDH1A1 (0.58) KMT2AALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL2616487 0.74 KMT2A (0.49) KMT2AALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL11708532 0.74 MAPT (0.61) KMT2AALDH1A1KDM4EMEN1LMNA
SCHEMBL13252870 0.73 PLA2G7 (0.49) KMT2AALDH1A1GCKMEN1LMNA
SCHEMBL9686296 0.72 ALDH1A1 (0.50) KMT2AALDH1A1SMN1; SMN2KDM4EMEN1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150080351-A1 ARYL SULFONAMIDES CHEMOCENTRYX, INC. 2015-03-19 US disclosed
US-20150080351-A1 ARYL SULFONAMIDES CHEMOCENTRYX, INC. 2015-03-19 US disclosed
US-20130267492-A1 ARYL SULFONAMIDES CHEMOCENTRYX, INC. (US) 2013-10-10 US disclosed
US-20130267492-A1 ARYL SULFONAMIDES CHEMOCENTRYX, INC. (US) 2013-10-10 US disclosed
US-20120101097-A9 ARYL SULFONAMIDES UNGASHE SOLOMON (US) 2012-04-26 US disclosed
US-20120101097-A9 ARYL SULFONAMIDES UNGASHE SOLOMON (US) 2012-04-26 US disclosed
US-20120014997-A1 ARYL SULFONAMIDES UNGASHE SOLOMON (US) 2012-01-19 US disclosed
US-20120014997-A1 ARYL SULFONAMIDES UNGASHE SOLOMON (US) 2012-01-19 US disclosed
US-20110201610-A1 ARYL SULFONAMIDES UNGASHE SOLOMON 2011-08-18 US disclosed
US-20110201610-A1 ARYL SULFONAMIDES UNGASHE SOLOMON 2011-08-18 US disclosed
US-7932252-B2 CCR9 chemokine receptor modulators; treating inflammatory and immune diseases; inhibit the binding of chemokines, such as TECK (thymus-expressed chemokine), to the CCR9 receptor; 1-arylsulfonamido-2-aryl(alkyl)benzene compounds CHEMOCENTRYX, INC. (US) 2011-04-26 US disclosed
US-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. 2010-09-16 US disclosed
US-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. 2010-09-16 US disclosed
US-20090163498-A1 Aryl Sulfonamides CHEMOCENTRYX, INC. (US) 2009-06-25 US disclosed
US-20090163498-A1 Aryl Sulfonamides CHEMOCENTRYX, INC. (US) 2009-06-25 US disclosed
US-7420055-B2 Antagonists of the chemokine receptor 9 (CCR9); inhibit TECK ligand; antiinflammatory agents and immunoregulators; inflammatory bowel disease; (2-phenylsulfonamidophenyl)-pyridinyl-methanones; N-[4-chloro-2(pyridine4-carbonyl)-phenyl]4-morpholin-4-yl-benzenesulfonamide CHEMOCENTRYX, INC. (US) 2008-09-02 US disclosed
US-7420055-B2 Antagonists of the chemokine receptor 9 (CCR9); inhibit TECK ligand; antiinflammatory agents and immunoregulators; inflammatory bowel disease; (2-phenylsulfonamidophenyl)-pyridinyl-methanones; N-[4-chloro-2(pyridine4-carbonyl)-phenyl]4-morpholin-4-yl-benzenesulfonamide CHEMOCENTRYX, INC. (US) 2008-09-02 US disclosed
US-20080161345-A1 Aryl Sulfonamides CHEMOCENTRYX, INC. 2008-07-03 US disclosed
US-20080161345-A1 Aryl Sulfonamides CHEMOCENTRYX, INC. 2008-07-03 US disclosed
WO-2008008374-A2 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. (US) 2008-01-17 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 (8 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-20120014997-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 KMT2A 2760/4885ALDH1A1 1655/4885GCK 3574/4885
US-20110201610-A1 ARYL SULFONAMIDES CCR2, CCL2, CX3CR1 KMT2A 2610/4885ALDH1A1 1258/4885GCK 2870/4885
US-20150080351-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 KMT2A 2760/4885ALDH1A1 1655/4885GCK 3574/4885
US-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CCR2, CCR9, CCR1 KMT2A 2576/4885ALDH1A1 1572/4885GCK 3476/4885
US-20090163498-A1 Aryl Sulfonamides CCR9, CCR1, CCR2 KMT2A 2760/4885ALDH1A1 1655/4885GCK 3574/4885
US-20080161345-A1 Aryl Sulfonamides CCR2, CCL2, CX3CR1 KMT2A 2610/4885ALDH1A1 1258/4885GCK 2870/4885
US-20120101097-A9 ARYL SULFONAMIDES CCR2, CCL2, CX3CR1 KMT2A 2610/4885ALDH1A1 1258/4885GCK 2870/4885
US-20130267492-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 KMT2A 2760/4885ALDH1A1 1655/4885GCK 3574/4885

“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.