SCHEMBL342777

SCHEMBL342777

Cc1ccc(C(=O)Cc2cc(Cl)ccc2N)cn1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.43
KMT2A Q03164 2/20 0.41
HDAC1 Q13547 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
CCR9 P51686 3/20 0.39
RAB9A P51151 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
P2RX7 Q99572 1/20 0.39
NPC1 O15118 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC2 Q92769 1/20 0.38
KDM4E B2RXH2 1/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 1/20 0.37

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
SCHEMBL343308 0.77 CCR9 (0.55) KMT2AHDAC1HDAC6CCR9TDP1
SCHEMBL3320901 0.76 MAPT (0.51) KMT2ARAB9ATDP1NPC1L3MBTL1
SCHEMBL342775 0.74 NOS2 (0.46) CCR9RAB9ANPC1L3MBTL1
SCHEMBL29957277 0.70 KEAP1 (0.50) KMT2ATDP1MEN1
SCHEMBL6950315 0.70 KEAP1 (0.50) KMT2ATDP1MEN1
SCHEMBL13706438 0.70 HDAC1 (0.55) KMT2AHDAC1HDAC6RAB9ATDP1
SCHEMBL15136337 0.70 HDAC1 (0.55) KMT2AHDAC1HDAC6RAB9ANPC1
SCHEMBL4717993 0.69 MEN1 (0.46) KMT2ARAB9ATDP1NPC1MEN1
Hydrochloric Acid SCHEMBL9672401 0.69 HDAC1 (0.53) KMT2AHDAC1HDAC6KDM4E
Hydrochloric Acid SCHEMBL3231047 0.69 HDAC1 (0.53) KMT2AHDAC1HDAC6KDM4E

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 EPHX2 574/4885KMT2A 2760/4885HDAC1 811/4885
US-10364240-B2 Aryl sulfonamides CCR9, CCR1, CCR2 EPHX2 574/4885KMT2A 2760/4885HDAC1 811/4885
US-20120014997-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 EPHX2 574/4885KMT2A 2760/4885HDAC1 811/4885
US-20060111351-A1 Aryl sulfonamides CCR9, CCR1, CCR2 EPHX2 574/4885KMT2A 2760/4885HDAC1 811/4885
US-20170369483-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 EPHX2 574/4885KMT2A 2760/4885HDAC1 811/4885
US-20150080351-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 EPHX2 574/4885KMT2A 2760/4885HDAC1 811/4885
US-20090163498-A1 Aryl Sulfonamides CCR9, CCR1, CCR2 EPHX2 574/4885KMT2A 2760/4885HDAC1 811/4885
US-20130267492-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 EPHX2 574/4885KMT2A 2760/4885HDAC1 811/4885

“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.