SCHEMBL343901

SCHEMBL343901

Cn1nc(C(=O)c2cc(Cl)ccc2N)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.50
KDM4E B2RXH2 1/20 0.48
KDR P35968 2/20 0.44
FADS1 O60427 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.42
CYP3A4 P08684 2/20 0.42
TSHR P16473 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
PMP22 Q01453 1/20 0.42
HIF1A Q16665 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MGLL Q99685 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 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
SCHEMBL27677437 0.78 CYP3A4 (0.54) KDM4ECYP3A4TSHRCYP1A2CYP2D6
SCHEMBL10285079 0.74 LMNA (0.54) KMT2A
SCHEMBL260569 0.74 KDM4E (0.60) KDM4ECYP3A4TSHRALDH1A1MAPK1
SCHEMBL992781 0.74 KDM4E (0.60) KDM4ECYP3A4TSHRALDH1A1MAPK1
SCHEMBL29789796 0.74 KDM4E (0.60) KDM4ECYP3A4TSHRALDH1A1MAPK1
SCHEMBL31632586 0.74 KDM4E (0.60) KDM4ECYP3A4TSHRALDH1A1MAPK1
SCHEMBL9540049 0.73 RECQL (0.79) RECQLKDM4EFADS1CYP3A4TSHR
SCHEMBL30467838 0.72 KDM4E (0.62) KDM4ECYP3A4TSHRALDH1A1MAPK1
SCHEMBL496589 0.72 KDM4E (0.62) KDM4ECYP3A4TSHRCYP1A2CYP2D6
SCHEMBL30251861 0.72 KDM4E (0.62) KDM4ECYP3A4TSHRCYP1A2CYP2D6

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
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 4746/4885KDM4E 3023/4885KDR 2626/4885
US-10364240-B2 Aryl sulfonamides CCR9, CCR1, CCR2 RECQL 4746/4885KDM4E 3023/4885KDR 2626/4885
US-20120014997-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 RECQL 4746/4885KDM4E 3023/4885KDR 2626/4885
US-20060111351-A1 Aryl sulfonamides CCR9, CCR1, CCR2 RECQL 4746/4885KDM4E 3023/4885KDR 2626/4885
US-20170369483-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 RECQL 4746/4885KDM4E 3023/4885KDR 2626/4885
US-20150080351-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 RECQL 4746/4885KDM4E 3023/4885KDR 2626/4885
US-20090163498-A1 Aryl Sulfonamides CCR9, CCR1, CCR2 RECQL 4746/4885KDM4E 3023/4885KDR 2626/4885
US-20130267492-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 RECQL 4746/4885KDM4E 3023/4885KDR 2626/4885

“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.