SCHEMBL3591233

SCHEMBL3591233

Cc1nc(NC(=O)c2ccccc2)sc1C(=O)NNC(=O)c1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.69
NPC1 O15118 10/20 0.69
PKM P14618 2/20 0.69
LCK P06239 2/20 0.69
ALDH1A1 P00352 4/20 0.65
LMNA P02545 1/20 0.65
SMN1; SMN2 Q16637 5/20 0.64
KMT2A Q03164 4/20 0.64
RXFP1 Q9HBX9 2/20 0.61
NPSR1 Q6W5P4 1/20 0.61
KDM4E B2RXH2 2/20 0.60
MEN1 O00255 2/20 0.60
ALOX5 P09917 2/20 0.59
MAPT P10636 2/20 0.57
GAA P10253 1/20 0.56
ADORA3 P0DMS8 1/20 0.56
TP53 P04637 1/20 0.55
ALOX15 P16050 1/20 0.55
HTT P42858 1/20 0.55
HSD17B10 Q99714 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
SCHEMBL3803935 0.90 RAB9A (0.79) RAB9ANPC1PKMLCKALDH1A1
SCHEMBL3582729 0.88 NPC1 (0.73) RAB9ANPC1PKMLCKALDH1A1
SCHEMBL3590314 0.87 RAB9A (0.75) RAB9ANPC1PKMLCKALDH1A1
SCHEMBL3585829 0.86 NPC1 (0.69) RAB9ANPC1PKMLCKALDH1A1
SCHEMBL3590371 0.84 LCK (0.70) RAB9ANPC1PKMLCKALDH1A1
SCHEMBL3583154 0.83 SCD (0.76) RAB9ANPC1PKMLCKALDH1A1
SCHEMBL3798715 0.82 NPC1 (0.64) RAB9ANPC1PKMLCKALDH1A1
SCHEMBL18452791 0.82 NPC1 (0.64) RAB9ANPC1PKMLCKALDH1A1
SCHEMBL31665475 0.82 NPC1 (1.00) RAB9ANPC1PKMLCKALDH1A1
SCHEMBL773819 0.82 LCK (1.00) RAB9ANPC1PKMLCKSMN1; SMN2

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-8541457-B2 Aminothiazole derivatives as human stearoyl-CoA desaturase inhibitors XENON PHARMACEUTICALS INC. (CA) 2013-09-24 US disclosed
US-8541457-B2 Aminothiazole derivatives as human stearoyl-CoA desaturase inhibitors XENON PHARMACEUTICALS INC. (CA) 2013-09-24 US disclosed
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
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
US-20100152187-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2010-06-17 US disclosed
US-20100152187-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2010-06-17 US disclosed
CN-101208089-A Aminothiazole derivatives as human stearoyl-CoA desaturase inhibitors XENON PHARMACEUTICALS INC (CA) 2008-06-25 CN 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 2428/4885NPC1 305/4885PKM 1471/4885
US-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS SCD, SCD5, ACAT1 RAB9A 2466/4885NPC1 298/4885PKM 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.