SCHEMBL343076

SCHEMBL343076

O=C(c1cnn[nH]1)c1cc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
POLB P06746 1/20 0.44
KMT2A Q03164 2/20 0.44
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
P2RX1 P51575 2/20 0.40
PKM P14618 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 2/20 0.38
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38

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
SCHEMBL9519121 0.81 RECQL (0.51) ALDH1A1KMT2ASMN1; SMN2MAPT
SCHEMBL9686296 0.80 ALDH1A1 (0.50) ALDH1A1POLBKMT2ATSHRMAPK1
SCHEMBL9686336 0.79 ALDH1A1 (0.49) ALDH1A1POLBKMT2ATSHRMAPK1
SCHEMBL15308436 0.78 ALDH1A1 (0.39) ALDH1A1KMT2AMAPK1P2RX1MEN1
SCHEMBL2616484 0.77 ALDH1A1 (0.50) ALDH1A1POLBKMT2ATSHRMAPK1
SCHEMBL27452003 0.76 ALDH1A1 (0.49) ALDH1A1POLBKMT2ATSHRMAPK1
SCHEMBL10396627 0.74 ALDH1A1 (0.58) ALDH1A1POLBKMT2ATSHRMAPK1
SCHEMBL9377446 0.74 ALDH1A1 (0.49) ALDH1A1POLBKMT2ATSHRMAPK1
SCHEMBL339922 0.74 ALDH1A1 (0.57) ALDH1A1POLBKMT2ATSHRMAPK1
SCHEMBL344130 0.73 ALDH1A1 (0.48) ALDH1A1POLBKMT2ATSHRMAPK1

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 19 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
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
CN-1081442-A benzodiazepine HOFFMANN LA ROCHE (US) 1994-02-02 CN disclosed
EP-0574781-A2 2-Amino-5-heterocyclic-substituted-1,4-benzodiazepines and their use in the treatment of aids F. HOFFMANN-LA ROCHE AG (CH) 1993-12-22 EP disclosed
EP-0491218-A1 Benzodiazepinones F. HOFFMANN-LA ROCHE AG (CH) 1992-06-24 EP 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 1655/4885POLB 4636/4885KMT2A 2760/4885
US-10364240-B2 Aryl sulfonamides CCR9, CCR1, CCR2 ALDH1A1 1655/4885POLB 4636/4885KMT2A 2760/4885
US-20120014997-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 ALDH1A1 1655/4885POLB 4636/4885KMT2A 2760/4885
US-20060111351-A1 Aryl sulfonamides CCR9, CCR1, CCR2 ALDH1A1 1655/4885POLB 4636/4885KMT2A 2760/4885
US-20170369483-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 ALDH1A1 1655/4885POLB 4636/4885KMT2A 2760/4885
US-20150080351-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 ALDH1A1 1655/4885POLB 4636/4885KMT2A 2760/4885
US-20090163498-A1 Aryl Sulfonamides CCR9, CCR1, CCR2 ALDH1A1 1655/4885POLB 4636/4885KMT2A 2760/4885
US-20130267492-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 ALDH1A1 1655/4885POLB 4636/4885KMT2A 2760/4885

“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.