SCHEMBL3579979

SCHEMBL3579979

Cc1nc(N)sc1C(=O)Nc1ccccc1Cl

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.76
ALDH1A1 P00352 4/20 0.67
GAA P10253 1/20 0.67
MAPK1 P28482 1/20 0.67
NPC1 O15118 5/20 0.65
RAB9A P51151 5/20 0.65
USP2 O75604 1/20 0.60
MAPT P10636 2/20 0.59
HTT P42858 2/20 0.59
KDM4E B2RXH2 1/20 0.59
MEN1 O00255 2/20 0.58
HSP90AA1 P07900 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.56
LCK P06239 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
LMNA P02545 1/20 0.51

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
SCHEMBL1540091 0.86 ALDH1A1 (0.70) KMT2AALDH1A1GAAMAPK1NPC1
SCHEMBL1540178 0.84 POLB (0.62) KMT2AALDH1A1GAAMAPK1NPC1
SCHEMBL3579977 0.84 KMT2A (0.72) KMT2AALDH1A1GAAMAPK1NPC1
SCHEMBL11700991 0.83 KMT2A (0.73) KMT2AALDH1A1GAAMAPK1NPC1
SCHEMBL1539962 0.82 LCK (0.66) NPC1RAB9ALCK
SCHEMBL42334 0.80 RAB9A (0.97) KMT2AALDH1A1GAAMAPK1NPC1
Bromide SCHEMBL11279935 0.80 ALDH1A1 (0.98) KMT2AALDH1A1GAAMAPK1NPC1
SCHEMBL23755826 0.79 AHR (0.55) KMT2AALDH1A1GAAMAPK1NPC1
SCHEMBL30066673 0.79 AHR (0.55) KMT2AALDH1A1GAAMAPK1NPC1
SCHEMBL27727747 0.78 KMT2A (0.50) KMT2AALDH1A1GAAMAPK1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541457-B2 Aminothiazole derivatives as human stearoyl-CoA desaturase inhibitors XENON PHARMACEUTICALS INC. (CA) 2013-09-24 US claimed
US-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2013-04-18 US claimed
EP-2540296-A1 Arminothiazole derivatives as human stearoyl-coa desaturase inhibitors Xenon Pharmaceuticals Inc. (CA) 2013-01-02 EP claimed
US-20100152187-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2010-06-17 US claimed
EP-2029138-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2009-03-04 EP claimed
WO-2007130075-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2007-11-15 WO claimed
US-8541457-B2 Aminothiazole derivatives as human stearoyl-CoA desaturase inhibitors XENON PHARMACEUTICALS INC. (CA) 2013-09-24 US disclosed
US-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2013-04-18 US disclosed
EP-2540296-A1 Arminothiazole derivatives as human stearoyl-coa desaturase inhibitors Xenon Pharmaceuticals Inc. (CA) 2013-01-02 EP disclosed
US-20100152187-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2010-06-17 US disclosed
EP-2029138-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2009-03-04 EP disclosed
WO-2007130075-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2007-11-15 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 (2 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-20100152187-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS SCD, SCD5, ACAT1 KMT2A 1897/4885ALDH1A1 927/4885GAA 1036/4885
US-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS SCD, SCD5, ACAT1 KMT2A 1901/4885ALDH1A1 910/4885GAA 1013/4885

“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.