SCHEMBL3584894

SCHEMBL3584894

Cc1ccccc1C(=O)Nc1nc(C)c(C(=O)O)s1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.80
ALDH1A1 P00352 5/20 0.80
NPC1 O15118 5/20 0.61
SMN1; SMN2 Q16637 5/20 0.61
PKM P14618 2/20 0.61
TP53 P04637 1/20 0.61
ALOX15 P16050 1/20 0.61
HTT P42858 1/20 0.61
HSD17B10 Q99714 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
LMNA P02545 1/20 0.60
NPSR1 Q6W5P4 2/20 0.60
HPGD P15428 4/20 0.56
RXFP1 Q9HBX9 2/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
MAPT P10636 1/20 0.56
LCK P06239 2/20 0.54
KDM4E B2RXH2 2/20 0.54
PDE5A O76074 1/20 0.54

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
SCHEMBL4188732 0.87 RAB9A (0.61) RAB9AALDH1A1NPC1SMN1; SMN2PKM
SCHEMBL3585640 0.86 RAB9A (0.81) RAB9AALDH1A1NPC1SMN1; SMN2PKM
SCHEMBL4196428 0.85 SMN1; SMN2 (0.81) RAB9AALDH1A1NPC1SMN1; SMN2PKM
SCHEMBL25142454 0.84 RAB9A (0.76) RAB9AALDH1A1NPC1SMN1; SMN2PKM
SCHEMBL31665068 0.84 RAB9A (0.76) RAB9AALDH1A1NPC1SMN1; SMN2PKM
SCHEMBL3582729 0.84 NPC1 (0.73) RAB9AALDH1A1NPC1SMN1; SMN2PKM
SCHEMBL4184590 0.83 RAB9A (0.58) RAB9AALDH1A1NPC1SMN1; SMN2PKM
SCHEMBL4195858 0.83 RAB9A (0.57) RAB9AALDH1A1NPC1SMN1; SMN2PKM
SCHEMBL4191961 0.82 ALOX5 (0.57) RAB9AALDH1A1NPC1SMN1; SMN2PKM
SCHEMBL4338019 0.80 RAB9A (0.57) RAB9AALDH1A1NPC1SMN1; SMN2PKM

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 RAB9A 2428/4885ALDH1A1 927/4885NPC1 305/4885
US-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS SCD, SCD5, ACAT1 RAB9A 2466/4885ALDH1A1 910/4885NPC1 298/4885

“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.