SCHEMBL3589359

SCHEMBL3589359

CCOC(=O)CNC(=O)c1sc(NC(=O)/C=C/c2ccccc2)nc1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 1.00
NPSR1 Q6W5P4 4/20 1.00
RXFP1 Q9HBX9 1/20 1.00
ALDH1A1 P00352 7/20 0.76
HPGD P15428 6/20 0.76
LMNA P02545 3/20 0.76
RAB9A P51151 3/20 0.76
KMT2A Q03164 4/20 0.69
MEN1 O00255 3/20 0.69
PKM P14618 2/20 0.64
NPC1 O15118 1/20 0.64
MAPT P10636 3/20 0.63
HSP90AA1 P07900 1/20 0.63
SMN1; SMN2 Q16637 2/20 0.55
CSNK1D P48730 2/20 0.54
FSCN1 Q16658 1/20 0.49

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
SCHEMBL3589362 1.00 KDM4E (1.00) KDM4ENPSR1RXFP1ALDH1A1HPGD
SCHEMBL3589298 0.84 NPSR1 (0.73) KDM4ENPSR1RXFP1ALDH1A1HPGD
SCHEMBL3589303 0.84 NPSR1 (0.73) KDM4ENPSR1RXFP1ALDH1A1HPGD
SCHEMBL27727766 0.84 KDM4E (0.72) KDM4ENPSR1RXFP1ALDH1A1HPGD
SCHEMBL3586012 0.84 ALDH1A1 (1.00) KDM4ENPSR1RXFP1ALDH1A1LMNA
SCHEMBL3592122 0.82 ALDH1A1 (1.00) KDM4ENPSR1RXFP1ALDH1A1HPGD
SCHEMBL3592126 0.82 ALDH1A1 (1.00) KDM4ENPSR1RXFP1ALDH1A1HPGD
SCHEMBL3577535 0.81 HPGD (0.78) KDM4ENPSR1RXFP1ALDH1A1HPGD
SCHEMBL3577530 0.81 HPGD (0.78) KDM4ENPSR1RXFP1ALDH1A1HPGD
SCHEMBL3580424 0.79 MEN1 (0.80) KDM4ENPSR1RXFP1ALDH1A1HPGD

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