SCHEMBL3584748

SCHEMBL3584748

Cc1nc(NC(=O)COc2ccccc2)sc1C(=O)NCc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.74
SMN1; SMN2 Q16637 4/20 0.74
KMT2A Q03164 4/20 0.74
MEN1 O00255 3/20 0.74
SCD O00767 1/20 0.74
MAPT P10636 6/20 0.72
RAB9A P51151 6/20 0.72
KDM4E B2RXH2 2/20 0.72
RXFP1 Q9HBX9 2/20 0.72
NPC1 O15118 3/20 0.71
TSHR P16473 2/20 0.71
POLB P06746 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
LCK P06239 1/20 0.55
TP53 P04637 1/20 0.55
CSNK1D P48730 1/20 0.54
HPGD P15428 1/20 0.54
MAPK1 P28482 1/20 0.53
THRB P10828 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
SCHEMBL3584529 0.85 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL3584809 0.85 SCD (0.82) ALDH1A1SMN1; SMN2KMT2AMEN1SCD
SCHEMBL3585084 0.85 SCD (1.00) ALDH1A1SMN1; SMN2KMT2AMEN1SCD
SCHEMBL3579484 0.85 MAPT (0.84) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL3579438 0.83 SCD (0.79) ALDH1A1SMN1; SMN2KMT2AMEN1SCD
SCHEMBL3591255 0.83 ALDH1A1 (0.78) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL3585867 0.82 NPC1 (0.77) ALDH1A1SMN1; SMN2SCDRAB9ANPC1
SCHEMBL3583154 0.82 SCD (0.76) ALDH1A1SMN1; SMN2KMT2AMEN1SCD
SCHEMBL3593815 0.81 SCD (0.76) ALDH1A1SMN1; SMN2KMT2ASCDRAB9A
SCHEMBL3583788 0.80 SCD (0.74) ALDH1A1SMN1; SMN2KMT2AMEN1SCD

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 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
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 ALDH1A1 927/4885SMN1; SMN2 1323/4885KMT2A 1897/4885
US-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS SCD, SCD5, ACAT1 ALDH1A1 910/4885SMN1; SMN2 1277/4885KMT2A 1901/4885

“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.