SCHEMBL343984

SCHEMBL343984

O=C(c1ccc(Cl)nc1)c1cc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
KMT2A Q03164 1/20 0.47
CCR9 P51686 1/20 0.46
POLB P06746 3/20 0.45
MAPK1 P28482 2/20 0.44
TSHR P16473 1/20 0.44
NAPRT Q6XQN6 1/20 0.44
ALKBH5 Q6P6C2 3/20 0.43
VCAM1 P19320 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
EGFR P00533 1/20 0.42
FTO Q9C0B1 1/20 0.42
GAA P10253 1/20 0.41
MAPT P10636 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
SCHEMBL10396627 0.84 ALDH1A1 (0.58) ALDH1A1KMT2APOLBMAPK1TSHR
SCHEMBL343298 0.80 RECQL (0.53) ALDH1A1KMT2ACCR9POLBNAPRT
SCHEMBL31366649 0.79 VCAM1 (0.57) ALDH1A1POLBMAPK1TSHRVCAM1
SCHEMBL25413293 0.79 VCAM1 (0.57) ALDH1A1POLBMAPK1TSHRVCAM1
SCHEMBL9377446 0.77 ALDH1A1 (0.49) ALDH1A1KMT2APOLBMAPK1TSHR
SCHEMBL15308437 0.77 NAPRT (0.49) ALDH1A1KMT2ACCR9POLBMAPK1
SCHEMBL10633292 0.77 SRD5A2 (0.59) ALDH1A1KMT2ACCR9POLBMAPK1
SCHEMBL40329 0.76 ALDH1A1 (0.59) ALDH1A1KMT2APOLBMAPK1TSHR
SCHEMBL6708189 0.75 NPC1 (0.60) KMT2AEGFRMAPT
SCHEMBL343417 0.75 ALDH1A1 (0.52) ALDH1A1KMT2ACCR9POLBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10364240-B2 Aryl sulfonamides ChemoCentryx. Inc. (US) 2019-07-30 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
US-20150080351-A1 ARYL SULFONAMIDES CHEMOCENTRYX, INC. 2015-03-19 US disclosed
EP-1798223-B2 Aryl sulfonamides CHEMOCENTRYX INC (US) 2014-07-30 EP 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
CN-101077867-B Bis-aryl sulfonamides CHEMOCENTRYX 2012-10-10 CN disclosed
US-8211896-B2 Aryl sulfonamides CHEMOCENTRYX, INC. (US) 2012-07-03 US disclosed
US-8211896-B2 Aryl sulfonamides CHEMOCENTRYX, INC. (US) 2012-07-03 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
EP-1798223-A2 Aryl sulfonamides ChemoCentryx Inc (US) 2007-06-20 EP disclosed
US-20060111351-A1 Aryl sulfonamides CHEMOCENTRYX, INC. 2006-05-25 US disclosed
WO-2005112925-A1 ARYL SULFONAMIDES CHEMOCENTRYX (US) 2005-12-01 WO disclosed
US-6939885-B2 Aryl sulfonamides CHEMOCENTRYX (US) 2005-09-06 US disclosed
EP-1562940-A2 ARYL SULFONAMIDES ChemoCentryx Inc (US) 2005-08-17 EP disclosed
US-20050165067-A1 Aryl sulfonamides CHEMOCENTRYX 2005-07-28 US disclosed
US-20050137193-A1 Aryl sulfonamides CHEMOCENTREYX 2005-06-23 US disclosed
US-20040171654-A1 Aryl sulfonamides CHEMOCENTRYX, INC. 2004-09-02 US disclosed
WO-2004046092-A2 ARYL SULFONAMIDES CHEMOCENTRYX (US) 2004-06-03 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-20050137193-A1 Aryl sulfonamides CCR9, CCR1, CCR2 ALDH1A1 1655/4885KMT2A 2760/4885CCR9 1/4885
US-10364240-B2 Aryl sulfonamides CCR9, CCR1, CCR2 ALDH1A1 1655/4885KMT2A 2760/4885CCR9 1/4885
US-20060111351-A1 Aryl sulfonamides CCR9, CCR1, CCR2 ALDH1A1 1655/4885KMT2A 2760/4885CCR9 1/4885
US-20170369483-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 ALDH1A1 1655/4885KMT2A 2760/4885CCR9 1/4885
US-20150080351-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 ALDH1A1 1655/4885KMT2A 2760/4885CCR9 1/4885
US-20040171654-A1 Aryl sulfonamides CCR9, CCR1, CCR2 ALDH1A1 1655/4885KMT2A 2760/4885CCR9 1/4885
US-20050165067-A1 Aryl sulfonamides CCR9, CCR1, CCR2 ALDH1A1 1655/4885KMT2A 2760/4885CCR9 1/4885
US-20130267492-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 ALDH1A1 1655/4885KMT2A 2760/4885CCR9 1/4885

“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.