SCHEMBL3884359

SCHEMBL3884359

O=C(O)Nc1cccc(-c2nc(N3CCOCC3)sc2-c2ccnc(Cl)n2)c1F

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 1/20 0.42
BRAF P15056 3/20 0.42
ALDH1A1 P00352 4/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
RIPK2 O43353 1/20 0.39
NR1I2 O75469 3/20 0.39
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ALOX5 P09917 2/20 0.38
RXFP1 Q9HBX9 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTGS2 P35354 1/20 0.37
EGFR P00533 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
SCHEMBL3889207 0.91 ALDH1A1 (0.41) KCNH2MEN1KMT2ALMNAALDH1A1
SCHEMBL12349963 0.87 BRAF (0.38) KCNH2MEN1KMT2ALMNABRAF
SCHEMBL3887751 0.86 KCNH2 (0.42) KCNH2MEN1KMT2ALMNAALDH1A1
SCHEMBL2193376 0.85 BRAF (0.47) KCNH2BRAFRIPK2NR1I2EGFR
SCHEMBL12507996 0.85 KCNH2 (0.42) KCNH2MEN1KMT2ALMNABRAF
SCHEMBL2194702 0.84 BRAF (0.46) KCNH2BRAFRIPK2NR1I2EGFR
SCHEMBL12508284 0.84 KCNH2 (0.42) KCNH2BRAFRIPK2NR1I2SMN1; SMN2
SCHEMBL3884105 0.84 NR1I2 (0.47) BRAFNR1I2EGFR
SCHEMBL2194335 0.84 BRAF (0.59) BRAFRIPK2NR1I2
SCHEMBL1127145 0.83 KCNH2 (0.44) KCNH2BRAFRIPK2NR1I2NPC1

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-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
EP-2282636-B1 BENZENE SULFONAMIDE THIAZOLE AND OXAZOLE COMPOUNDS NOVARTIS AG (CH) 2016-03-23 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 KCNH2 1701/4885MEN1 3639/4885KMT2A 2622/4885
US-20140080851-A1 Benzene Sulfonamide Thiazole and Oxazole Compounds STS, TST, TPST2 KCNH2 1701/4885MEN1 3639/4885KMT2A 2622/4885
US-20130144055-A1 Benzene Sulfonamide Thiazole And Oxazole Compounds STS, TST, TPST2 KCNH2 1701/4885MEN1 3639/4885KMT2A 2622/4885
US-20090298815-A1 Benzene Sulfonamide Thiazole and Oxazole Compounds STS, TST, TPST2 KCNH2 1701/4885MEN1 3639/4885KMT2A 2622/4885

“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.