SCHEMBL3589303

SCHEMBL3589303

Cc1nc(NC(=O)C=Cc2ccccc2)sc1C(=O)NCc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.73
KDM4E B2RXH2 4/20 0.73
RXFP1 Q9HBX9 1/20 0.73
ALDH1A1 P00352 7/20 0.72
HPGD P15428 6/20 0.72
MEN1 O00255 2/20 0.72
KMT2A Q03164 2/20 0.72
SCD O00767 2/20 0.67
RAB9A P51151 3/20 0.67
LMNA P02545 3/20 0.67
MAPT P10636 2/20 0.66
HSP90AA1 P07900 1/20 0.66
SMN1; SMN2 Q16637 2/20 0.55
LCK P06239 1/20 0.55
NPC1 O15118 1/20 0.55
MMP1 P03956 1/20 0.54
MMP2 P08253 1/20 0.54
MMP9 P14780 1/20 0.54
PKM P14618 1/20 0.53
FSCN1 Q16658 1/20 0.52

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
SCHEMBL3589298 1.00 NPSR1 (0.73) NPSR1KDM4ERXFP1ALDH1A1HPGD
SCHEMBL3589362 0.84 KDM4E (1.00) NPSR1KDM4ERXFP1ALDH1A1HPGD
SCHEMBL3589359 0.84 KDM4E (1.00) NPSR1KDM4ERXFP1ALDH1A1HPGD
SCHEMBL3592126 0.84 ALDH1A1 (1.00) NPSR1KDM4ERXFP1ALDH1A1HPGD
SCHEMBL3592122 0.84 ALDH1A1 (1.00) NPSR1KDM4ERXFP1ALDH1A1HPGD
SCHEMBL3577535 0.84 HPGD (0.78) NPSR1KDM4ERXFP1ALDH1A1HPGD
SCHEMBL3577530 0.84 HPGD (0.78) NPSR1KDM4ERXFP1ALDH1A1HPGD
SCHEMBL27727766 0.83 KDM4E (0.72) NPSR1KDM4ERXFP1ALDH1A1HPGD
SCHEMBL3583154 0.82 SCD (0.76) NPSR1ALDH1A1HPGDMEN1KMT2A
SCHEMBL3580427 0.81 MEN1 (0.80) NPSR1KDM4ERXFP1ALDH1A1HPGD

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 NPSR1 4304/4885KDM4E 431/4885RXFP1 2584/4885
US-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS SCD, SCD5, ACAT1 NPSR1 4292/4885KDM4E 434/4885RXFP1 2601/4885

“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.