SCHEMBL3585829

SCHEMBL3585829

Cc1nc(NC(=O)c2ccccc2)sc1C(=O)Cl

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.69
RAB9A P51151 8/20 0.69
PKM P14618 1/20 0.69
LCK P06239 2/20 0.65
NPSR1 Q6W5P4 1/20 0.61
RXFP1 Q9HBX9 1/20 0.61
ALDH1A1 P00352 5/20 0.61
LMNA P02545 2/20 0.61
SMN1; SMN2 Q16637 5/20 0.60
KMT2A Q03164 4/20 0.60
ALOX5 P09917 2/20 0.59
MAPT P10636 2/20 0.57
MEN1 O00255 2/20 0.56
KDM4E B2RXH2 1/20 0.56
ADORA3 P0DMS8 2/20 0.56
ADORA2A P29274 1/20 0.55
ADORA1 P30542 1/20 0.55
CLK1 P49759 1/20 0.55
TP53 P04637 1/20 0.55

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
SCHEMBL3582729 0.88 NPC1 (0.73) NPC1RAB9APKMLCKNPSR1
SCHEMBL3803935 0.87 RAB9A (0.79) NPC1RAB9APKMLCKNPSR1
SCHEMBL3591233 0.86 RAB9A (0.69) NPC1RAB9APKMLCKNPSR1
SCHEMBL18452791 0.85 NPC1 (0.64) NPC1RAB9APKMLCKNPSR1
SCHEMBL3590314 0.84 RAB9A (0.75) NPC1RAB9APKMLCKNPSR1
SCHEMBL3798715 0.82 NPC1 (0.64) NPC1RAB9APKMLCKNPSR1
SCHEMBL31665475 0.82 NPC1 (1.00) NPC1RAB9APKMLCKNPSR1
SCHEMBL3590371 0.81 LCK (0.70) NPC1RAB9APKMLCKNPSR1
SCHEMBL3584407 0.81 SMN1; SMN2 (0.80) NPC1RAB9APKMNPSR1RXFP1
SCHEMBL3583154 0.80 SCD (0.76) NPC1RAB9APKMLCKNPSR1

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 6 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 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 NPC1 305/4885RAB9A 2428/4885PKM 1471/4885
US-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS SCD, SCD5, ACAT1 NPC1 298/4885RAB9A 2466/4885PKM 1445/4885

“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.