SCHEMBL3882959

SCHEMBL3882959

O=C(O)Nc1cccc(C(=O)Cc2ccnc(Cl)n2)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
GPR35 Q9HC97 2/20 0.36
RAB9A P51151 2/20 0.36
PDE5A O76074 1/20 0.35
ERCC5 P28715 1/20 0.35
FEN1 P39748 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KDR P35968 2/20 0.35
KDM4E B2RXH2 2/20 0.35
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
DHODH Q02127 1/20 0.34
NPC1 O15118 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SHMT1 P34896 1/20 0.34
SHMT2 P34897 1/20 0.34

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
SCHEMBL4556465 0.90 PDE5A (0.39) RAB9APDE5AALDH1A1KDRMEN1
SCHEMBL3884176 0.88 TRPV1 (0.36) RAB9APDE5AALDH1A1KDRKDM4E
SCHEMBL24761235 0.82 ERCC5 (0.47) GAARAB9AERCC5FEN1ALDH1A1
SCHEMBL29751913 0.82 ERCC5 (0.47) GAARAB9AERCC5FEN1ALDH1A1
SCHEMBL1882268 0.79 BRAF (0.41)
SCHEMBL30605929 0.78 MEN1 (0.37) GAARAB9AALDH1A1KDRKDM4E
SCHEMBL26134079 0.78 MEN1 (0.37) GAARAB9AALDH1A1KDRKDM4E
SCHEMBL3883018 0.77 GPR35 (0.37) GAAGPR35ALDH1A1KDRKDM4E
SCHEMBL3883014 0.77 GPR35 (0.37) GAAGPR35ALDH1A1KDRKDM4E
SCHEMBL1871902 0.77 PTGS1 (0.38) TRPV1

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-20170073341-A1 Benzene Sulfonamide Thiazole and Oxazole Compounds NOVARTIS AG (CH) 2017-03-16 US disclosed
EP-3106462-A1 BENZENE SULFONAMIDE THIAZOLE AND OXAZOLE COMPOUNDS Novartis AG (CH) 2016-12-21 EP disclosed
US-9233956-B2 Benzene sulfonamide thiazole and oxazole compounds NOVARTIS AG (CH) 2016-01-12 US disclosed
US-20140080851-A1 Benzene Sulfonamide Thiazole and Oxazole Compounds GLAXOSMITHKLINE LLC (US) 2014-03-20 US disclosed
US-8642759-B2 Benzene sulfonamide thiazole and oxazole compounds GLAXOSMITHKLINE LLC (US) 2014-02-04 US disclosed
US-20130144055-A1 Benzene Sulfonamide Thiazole And Oxazole Compounds GLAXOSMITHKLINE LLC (US) 2013-06-06 US disclosed
US-8415345-B2 Benzene sulfonamide thiazole and oxazole compounds Glaxo SmithKline LLC (US) 2013-04-09 US disclosed
EP-2498608-A1 BENZENE SULFONAMIDE THIAZOLE AND OXAZOLE COMPOUNDS GlaxoSmithKline LLC (US) 2012-09-19 EP disclosed
US-20090298815-A1 Benzene Sulfonamide Thiazole and Oxazole Compounds NOVARTIS AG (CH) 2009-12-03 US disclosed
WO-2009137391-A2 BENZENE SULFONAMIDE THIAZOLE AND OXAZOLE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-11-12 WO 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-20170073341-A1 Benzene Sulfonamide Thiazole and Oxazole Compounds STS, TST, TPST2 GAA 1014/4885GPR35 1143/4885RAB9A 4753/4885
US-20140080851-A1 Benzene Sulfonamide Thiazole and Oxazole Compounds STS, TST, TPST2 GAA 1014/4885GPR35 1143/4885RAB9A 4753/4885
US-20130144055-A1 Benzene Sulfonamide Thiazole And Oxazole Compounds STS, TST, TPST2 GAA 1014/4885GPR35 1143/4885RAB9A 4753/4885
US-20090298815-A1 Benzene Sulfonamide Thiazole and Oxazole Compounds STS, TST, TPST2 GAA 1014/4885GPR35 1143/4885RAB9A 4753/4885

“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.