SCHEMBL3580403

SCHEMBL3580403

Cc1ccc(C(=O)Nc2nc(C)c(C(=O)Nc3ccccc3C)s2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.67
NPC1 O15118 8/20 0.67
ALDH1A1 P00352 5/20 0.67
SMN1; SMN2 Q16637 5/20 0.67
KMT2A Q03164 4/20 0.67
LCK P06239 2/20 0.64
KDM4E B2RXH2 3/20 0.57
HPGD P15428 2/20 0.57
CASP3 P42574 1/20 0.57
SENP7 Q9BQF6 1/20 0.57
CHRNA7 P36544 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
ADORA2A P29274 1/20 0.55
ADORA1 P30542 1/20 0.55
RXFP1 Q9HBX9 3/20 0.54
NPSR1 Q6W5P4 2/20 0.54
POLB P06746 1/20 0.54
PKM P14618 1/20 0.53
MEN1 O00255 3/20 0.53
GAA P10253 1/20 0.53

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
SCHEMBL3590371 0.93 LCK (0.70) RAB9ANPC1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL3585980 0.91 ALOX5 (0.59) RAB9ANPC1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL3576234 0.91 LCK (0.58) RAB9ANPC1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL3577371 0.87 MAPT (0.65) RAB9ANPC1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL5607983 0.86 CHRNA7 (0.60) RAB9ANPC1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL3588845 0.85 ALDH1A1 (0.70) RAB9ANPC1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL16785818 0.81 LCK (0.84) RAB9ANPC1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL3597783 0.81 KMT2A (0.61) RAB9ANPC1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL3580464 0.81 ALOX5 (0.60) RAB9ANPC1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL3690383 0.81 POLB (0.79) RAB9ANPC1ALDH1A1SMN1; SMN2KMT2A

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

“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.