SCHEMBL344591

SCHEMBL344591

COc1cnccc1C(=O)c1cc(Cl)ccc1N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.50
KCNMA1 Q12791 1/20 0.48
KDM4C Q9H3R0 1/20 0.46
MAPK1 P28482 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
RORB Q92753 3/20 0.43
RORC P51449 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42
POLB P06746 2/20 0.41
NPC1 O15118 1/20 0.41
ABL1 P00519 1/20 0.41
NOS2 P35228 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
SCHEMBL343215 0.82 RECQL (0.54) RECQLKCNMA1KDM4CKDM4EALDH1A1
SCHEMBL2705425 0.82 RECQL (0.65) RECQLKCNMA1KDM4ERORBRORC
SCHEMBL344358 0.80 RECQL (0.54) RECQLKCNMA1NOS2
SCHEMBL2705226 0.78 NPC1 (0.56) RECQLALDH1A1MEN1KMT2APOLB
SCHEMBL4125266 0.77 RECQL (0.57) RECQLKCNMA1KDM4EALDH1A1RORB
SCHEMBL24379594 0.76 KDM4C (0.58) KCNMA1KDM4CMAPK1ALDH1A1MEN1
SCHEMBL9540049 0.76 RECQL (0.79) RECQLMAPK1KDM4EALDH1A1KMT2A
SCHEMBL4124662 0.76 RECQL (0.56) RECQLKCNMA1KDM4EALDH1A1GAA
SCHEMBL4132207 0.76 RECQL (0.56) RECQLKCNMA1KDM4ERORBRORC
SCHEMBL2705487 0.76 POLB (0.66) RECQLALDH1A1RORBRORCKMT2A

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 10 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-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
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 RECQL 4746/4885KCNMA1 3559/4885KDM4C 3192/4885
US-10364240-B2 Aryl sulfonamides CCR9, CCR1, CCR2 RECQL 4746/4885KCNMA1 3559/4885KDM4C 3192/4885
US-20120014997-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 RECQL 4746/4885KCNMA1 3559/4885KDM4C 3192/4885
US-20060111351-A1 Aryl sulfonamides CCR9, CCR1, CCR2 RECQL 4746/4885KCNMA1 3559/4885KDM4C 3192/4885
US-20170369483-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 RECQL 4746/4885KCNMA1 3559/4885KDM4C 3192/4885
US-20150080351-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 RECQL 4746/4885KCNMA1 3559/4885KDM4C 3192/4885
US-20090163498-A1 Aryl Sulfonamides CCR9, CCR1, CCR2 RECQL 4746/4885KCNMA1 3559/4885KDM4C 3192/4885
US-20130267492-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 RECQL 4746/4885KCNMA1 3559/4885KDM4C 3192/4885

“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.