SCHEMBL3575945

SCHEMBL3575945

Cc1nc(C(N)=O)sc1C(=O)Nc1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.81
MAPT P10636 6/20 0.81
NPC1 O15118 5/20 0.81
RECQL P46063 1/20 0.69
ALDH1A1 P00352 7/20 0.66
HTT P42858 5/20 0.66
SMN1; SMN2 Q16637 5/20 0.66
CYP1A2 P05177 1/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2C9 P11712 1/20 0.66
KMT2A Q03164 6/20 0.58
MEN1 O00255 5/20 0.58
KDM4E B2RXH2 4/20 0.58
POLB P06746 1/20 0.58
LMNA P02545 3/20 0.56
NPSR1 Q6W5P4 2/20 0.56
ADORA1 P30542 1/20 0.56
HPGD P15428 1/20 0.54

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
SCHEMBL3583065 0.86 MAPT (0.60) RAB9AMAPTNPC1RECQLALDH1A1
SCHEMBL3590002 0.86 RAB9A (0.60) RAB9AMAPTNPC1RECQLALDH1A1
SCHEMBL3586325 0.85 RAB9A (0.59) RAB9AMAPTNPC1RECQLALDH1A1
SCHEMBL3595560 0.84 L3MBTL1 (0.73) RAB9AMAPTNPC1ALDH1A1HTT
SCHEMBL3587931 0.83 POLB (0.71) RAB9AMAPTNPC1ALDH1A1SMN1; SMN2
SCHEMBL3591878 0.83 RAB9A (0.57) RAB9AMAPTNPC1RECQLALDH1A1
SCHEMBL42334 0.82 RAB9A (0.97) RAB9AMAPTNPC1RECQLALDH1A1
SCHEMBL23602 0.82 RAB9A (1.00) RAB9AMAPTNPC1RECQLALDH1A1
SCHEMBL3579977 0.81 KMT2A (0.72) RAB9AMAPTNPC1ALDH1A1HTT
SCHEMBL3585303 0.80 SCD (0.61) RAB9AMAPTNPC1HPGD

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 2428/4885MAPT 1788/4885NPC1 305/4885
US-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS SCD, SCD5, ACAT1 RAB9A 2466/4885MAPT 1782/4885NPC1 298/4885

“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.