SCHEMBL343417

SCHEMBL343417

O=C(c1cc[n+]([O-])cc1)c1cc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
CCR9 P51686 3/20 0.46
CCR2 P41597 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
VCAM1 P19320 2/20 0.42
MEN1 O00255 1/20 0.42
PKM P14618 1/20 0.42
POLB P06746 1/20 0.41
PLA2G1B P04054 1/20 0.40
MAPT P10636 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40

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
SCHEMBL21202543 0.89 ALDH1A1 (0.52) ALDH1A1TSHRMAPK1SMN1; SMN2KMT2A
SCHEMBL10396627 0.86 ALDH1A1 (0.58) ALDH1A1TSHRMAPK1SMN1; SMN2KMT2A
SCHEMBL25413293 0.84 VCAM1 (0.57) ALDH1A1TSHRMAPK1GAAVCAM1
SCHEMBL31366649 0.84 VCAM1 (0.57) ALDH1A1TSHRMAPK1GAAVCAM1
SCHEMBL368249 0.81 RECQL (0.54) CCR9CCR2SMN1; SMN2KMT2AGAA
Methylamine SCHEMBL27483022 0.80 MAPK1 (0.54) ALDH1A1TSHRMAPK1SMN1; SMN2GAA
SCHEMBL343984 0.75 ALDH1A1 (0.50) ALDH1A1CCR9TSHRMAPK1SMN1; SMN2
SCHEMBL79163 0.75 DTYMK (0.62) ALDH1A1TSHRMAPK1SMN1; SMN2KMT2A
SCHEMBL40329 0.75 ALDH1A1 (0.59) ALDH1A1TSHRMAPK1SMN1; SMN2KMT2A
SCHEMBL9377446 0.74 ALDH1A1 (0.49) ALDH1A1TSHRMAPK1SMN1; SMN2KMT2A

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 15 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-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
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-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-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-20060111351-A1 Aryl sulfonamides CHEMOCENTRYX, INC. 2006-05-25 US disclosed
WO-2005112925-A1 ARYL SULFONAMIDES CHEMOCENTRYX (US) 2005-12-01 WO 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 ALDH1A1 1655/4885CCR9 1/4885CCR2 3/4885
US-10364240-B2 Aryl sulfonamides CCR9, CCR1, CCR2 ALDH1A1 1655/4885CCR9 1/4885CCR2 3/4885
US-20120014997-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 ALDH1A1 1655/4885CCR9 1/4885CCR2 3/4885
US-20060111351-A1 Aryl sulfonamides CCR9, CCR1, CCR2 ALDH1A1 1655/4885CCR9 1/4885CCR2 3/4885
US-20170369483-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 ALDH1A1 1655/4885CCR9 1/4885CCR2 3/4885
US-20150080351-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 ALDH1A1 1655/4885CCR9 1/4885CCR2 3/4885
US-20090163498-A1 Aryl Sulfonamides CCR9, CCR1, CCR2 ALDH1A1 1655/4885CCR9 1/4885CCR2 3/4885
US-20130267492-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 ALDH1A1 1655/4885CCR9 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.