SCHEMBL3586012

SCHEMBL3586012

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 1.00
LMNA P02545 2/20 1.00
KDM4E B2RXH2 5/20 0.77
NPC1 O15118 6/20 0.74
RAB9A P51151 4/20 0.74
PKM P14618 3/20 0.74
RXFP1 Q9HBX9 4/20 0.72
NPSR1 Q6W5P4 3/20 0.72
CSNK1D P48730 2/20 0.68
SMN1; SMN2 Q16637 4/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
KCNH2 Q12809 1/20 0.59
HTT P42858 1/20 0.58
LCK P06239 2/20 0.57
TP53 P04637 1/20 0.57
TSHR P16473 1/20 0.55
ALOX5 P09917 1/20 0.53
SCD O00767 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
SCHEMBL3582775 0.89 ALDH1A1 (0.80) ALDH1A1LMNAKDM4ENPC1RAB9A
SCHEMBL3587669 0.89 ALDH1A1 (0.80) ALDH1A1LMNAKDM4ENPC1RAB9A
SCHEMBL3591347 0.87 KDM4E (0.79) ALDH1A1LMNAKDM4ENPC1RAB9A
SCHEMBL3585911 0.87 KDM4E (1.00) ALDH1A1LMNAKDM4ENPC1RAB9A
SCHEMBL3588506 0.85 RAB9A (1.00) ALDH1A1LMNAKDM4ENPC1RAB9A
SCHEMBL3584407 0.84 SMN1; SMN2 (0.80) ALDH1A1LMNAKDM4ENPC1RAB9A
SCHEMBL3589359 0.84 KDM4E (1.00) ALDH1A1LMNAKDM4ENPC1RAB9A
SCHEMBL3589362 0.84 KDM4E (1.00) ALDH1A1LMNAKDM4ENPC1RAB9A
SCHEMBL3596627 0.82 ALDH1A1 (0.69) ALDH1A1LMNAKDM4ENPC1RAB9A
SCHEMBL3583154 0.81 SCD (0.76) ALDH1A1LMNANPC1RAB9APKM

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 14 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
CN-101208089-A Aminothiazole derivatives as human stearoyl-CoA desaturase inhibitors XENON PHARMACEUTICALS INC (CA) 2008-06-25 CN 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
CN-101208089-A Aminothiazole derivatives as human stearoyl-CoA desaturase inhibitors XENON PHARMACEUTICALS INC (CA) 2008-06-25 CN 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 927/4885LMNA 1423/4885KDM4E 431/4885
US-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS SCD, SCD5, ACAT1 ALDH1A1 910/4885LMNA 1399/4885KDM4E 434/4885

“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.