SCHEMBL3585289

SCHEMBL3585289

Nc1nc(Cc2ccccc2)c(C(=O)O)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 5/20 0.44
HSD17B10 Q99714 1/20 0.43
LTB4R Q15722 1/20 0.42
GAA P10253 3/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
COPS5 Q92905 2/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP1A2 P05177 1/20 0.41
FBP1 P09467 1/20 0.40
CDC7 O00311 1/20 0.40
DBF4 Q9UBU7 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LTA4H P09960 1/20 0.40

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
SCHEMBL10308334 0.86 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1GAAMAPTMEN1
SCHEMBL3591548 0.83 CYP2D6 (0.54) SMN1; SMN2ALDH1A1HSD17B10LMNAHPGD
SCHEMBL5551869 0.78 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1GAAMAPTKMT2A
SCHEMBL5527532 0.77 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1GAAMAPTMEN1
SCHEMBL3618179 0.75 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1HSD17B10MAPTCOPS5
SCHEMBL22588269 0.75 ALDH1A1 (0.47) ALDH1A1HSD17B10LTB4RMAPTMEN1
SCHEMBL28757392 0.74 COPS5 (0.70) SMN1; SMN2ALDH1A1HSD17B10GAAMAPT
SCHEMBL1539908 0.74 ALDH1A1 (0.45) ALDH1A1HSD17B10MAPTMEN1LMNA
SCHEMBL330598 0.73 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1HSD17B10LTB4RGAA
SCHEMBL27727783 0.73 CDC7 (0.47) SMN1; SMN2ALDH1A1HSD17B10GAAMAPT

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 7 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 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 SMN1; SMN2 1323/4885ALDH1A1 927/4885HSD17B10 51/4885
US-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS SCD, SCD5, ACAT1 SMN1; SMN2 1277/4885ALDH1A1 910/4885HSD17B10 54/4885

“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.