SCHEMBL368249

SCHEMBL368249

Nc1ccc(Cl)cc1C(=O)c1cc[n+]([O-])cc1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.54
CCR9 P51686 3/20 0.49
CCR2 P41597 1/20 0.49
MAPK14 Q16539 2/20 0.46
FADS1 O60427 1/20 0.46
MAPT P10636 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
KMT2A Q03164 2/20 0.44
GFER P55789 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 1/20 0.44
MEN1 O00255 1/20 0.43
RAB9A P51151 1/20 0.43
NOS2 P35228 1/20 0.43
GAA P10253 1/20 0.42

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
SCHEMBL6351799 0.83 RECQL (0.64) RECQLFADS1MAPTTDP1KMT2A
SCHEMBL145366 0.82 RECQL (0.67) RECQLMAPTKMT2AGFERSMN1; SMN2
SCHEMBL31000389 0.82 RECQL (0.67) RECQLMAPTKMT2AGFERSMN1; SMN2
SCHEMBL30484136 0.82 RECQL (0.67) RECQLMAPTKMT2AGFERSMN1; SMN2
SCHEMBL343417 0.81 ALDH1A1 (0.52) CCR9CCR2MAPTKMT2ASMN1; SMN2
SCHEMBL12653273 0.80 RECQL (0.60) RECQLFADS1MAPTTDP1KMT2A
Hydrochloric Acid SCHEMBL27581315 0.80 RECQL (0.65) RECQLMAPTKMT2AGFERSMN1; SMN2
Hydrazine SCHEMBL11821861 0.80 RECQL (0.65) RECQLMAPTKMT2AGFERSMN1; SMN2
SCHEMBL9540049 0.79 RECQL (0.79) RECQLFADS1TDP1KMT2AGFER
SCHEMBL6332774 0.79 RECQL (0.58) RECQLFADS1MAPTTDP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10364240-B2 Aryl sulfonamides ChemoCentryx. Inc. (US) 2019-07-30 US disclosed
US-9890148-B2 Aryl sulfonamides CHEMOCENTRYX, INC. (US) 2018-02-13 US disclosed
US-20170369483-A1 ARYL SULFONAMIDES CHEMOCENTRYX, INC. (US) 2017-12-28 US disclosed
US-20150080351-A1 ARYL SULFONAMIDES CHEMOCENTRYX, INC. 2015-03-19 US disclosed
WO-2014088113-A1 PROPHYLACTIC OR THERAPEUTIC METHOD FOR SJOGREN'S SYNDROME USING SPECIFIC CCR9 RECEPTOR INHIBITORS/ANTAGONISTS MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-06-12 WO disclosed
US-20130267492-A1 ARYL SULFONAMIDES CHEMOCENTRYX, INC. (US) 2013-10-10 US disclosed
US-20120014997-A1 ARYL SULFONAMIDES UNGASHE SOLOMON (US) 2012-01-19 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-20060111351-A1 Aryl sulfonamides CHEMOCENTRYX, INC. 2006-05-25 US disclosed
US-20050137193-A1 Aryl sulfonamides CHEMOCENTREYX 2005-06-23 US 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-20050137193-A1 Aryl sulfonamides CCR9, CCR1, CCR2 RECQL 4746/4885CCR9 1/4885CCR2 3/4885
US-10364240-B2 Aryl sulfonamides CCR9, CCR1, CCR2 RECQL 4746/4885CCR9 1/4885CCR2 3/4885
US-20120014997-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 RECQL 4746/4885CCR9 1/4885CCR2 3/4885
US-20060111351-A1 Aryl sulfonamides CCR9, CCR1, CCR2 RECQL 4746/4885CCR9 1/4885CCR2 3/4885
US-20170369483-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 RECQL 4746/4885CCR9 1/4885CCR2 3/4885
US-20150080351-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 RECQL 4746/4885CCR9 1/4885CCR2 3/4885
US-20090163498-A1 Aryl Sulfonamides CCR9, CCR1, CCR2 RECQL 4746/4885CCR9 1/4885CCR2 3/4885
US-20130267492-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 RECQL 4746/4885CCR9 1/4885CCR2 3/4885

“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.