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SCHEMBL10248565

SCHEMBL10248565

Cn1ccc(C(=O)c2cc(Cl)ccc2NC(=O)C(C)(C)C)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 9/20 0.46
▸ NPC1 O15118 9/20 0.46
▸ SMN1; SMN2 Q16637 7/20 0.46
▸ MAPT P10636 2/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ NFKB1 P19838 2/20 0.44
▸ NFKB2 Q00653 2/20 0.44
▸ RELA Q04206 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ MITF O75030 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ KLF5 Q13887 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ SERPINE1 P05121 1/20 0.39
▸ PDK1 Q15118 1/20 0.39

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
SCHEMBL25411080 0.77 CCR9 (0.55) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL10248666 0.76 CCR9 (0.50) RAB9AKMT2AMEN1LMNAKDM4E
SCHEMBL10248734 0.76 HTT (0.51) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL10252269 0.76 CCR9 (0.61) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL2616485 0.76 CCR9 (0.52) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL343131 0.76 RECQL (0.50) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL28650 0.75 CCR9 (0.56) RAB9ASMN1; SMN2MAPTKMT2AMEN1
SCHEMBL12724369 0.74 MAPT (0.56) RAB9ASMN1; SMN2MAPTKMT2AMEN1
SCHEMBL10248583 0.73 MEN1 (0.47) RAB9ASMN1; SMN2MAPTKMT2AMEN1
SCHEMBL2616493 0.72 CCR9 (0.47) RAB9ASMN1; SMN2MAPTKMT2AMEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20120014997-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 RAB9A 1370/4885NPC1 1062/4885SMN1; SMN2 1116/4885
US-20150080351-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 RAB9A 1370/4885NPC1 1062/4885SMN1; SMN2 1116/4885
US-20090163498-A1 Aryl Sulfonamides CCR9, CCR1, CCR2 RAB9A 1370/4885NPC1 1062/4885SMN1; SMN2 1116/4885
US-20130267492-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 RAB9A 1370/4885NPC1 1062/4885SMN1; SMN2 1116/4885

“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.