SCHEMBL10248734

SCHEMBL10248734

Cn1nccc1C(=O)c1cc(Cl)ccc1NC(=O)C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.51
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
SCN10A Q9Y5Y9 4/20 0.43
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SERPINE1 P05121 1/20 0.39
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL28650 0.78 CCR9 (0.56) RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL10248565 0.76 RAB9A (0.46) RAB9ANPC1KMT2AMEN1KDM4E
SCHEMBL344480 0.76 HTT (0.60) HTTRAB9ANPC1CYP1A2CYP2D6
SCHEMBL10248583 0.76 MEN1 (0.47) RAB9AKMT2AMEN1KDM4EHSD17B10
SCHEMBL25411080 0.75 CCR9 (0.55) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL2616493 0.75 CCR9 (0.47) RAB9ACYP1A2CYP2C19KMT2AMEN1
SCHEMBL10252269 0.74 CCR9 (0.61) RAB9ANPC1KMT2AMEN1KDM4E
SCHEMBL10248666 0.74 CCR9 (0.50) RAB9AKMT2AMEN1KDM4EHSD17B10
SCHEMBL343324 0.74 CCR9 (0.56) RAB9ACYP1A2CYP2C19KMT2AMEN1
SCHEMBL344824 0.74 CCR9 (0.60) RAB9ANPC1KMT2AMEN1SMN1; SMN2

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 HTT 2647/4885RAB9A 1370/4885NPC1 1062/4885
US-20150080351-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 HTT 2647/4885RAB9A 1370/4885NPC1 1062/4885
US-20090163498-A1 Aryl Sulfonamides CCR9, CCR1, CCR2 HTT 2647/4885RAB9A 1370/4885NPC1 1062/4885
US-20130267492-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 HTT 2647/4885RAB9A 1370/4885NPC1 1062/4885

“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.