SCHEMBL3582480

SCHEMBL3582480

Cc1nc(NC(=O)COc2ccccc2)sc1C(=O)N1CCCCC1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.69
ALDH1A1 P00352 6/20 0.69
RAB9A P51151 5/20 0.69
SMN1; SMN2 Q16637 3/20 0.69
KDM4E B2RXH2 3/20 0.69
RXFP1 Q9HBX9 2/20 0.69
NPC1 O15118 3/20 0.68
TSHR P16473 2/20 0.68
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
HPGD P15428 1/20 0.65
POLB P06746 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
HSP90AA1 P07900 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
LMNA P02545 1/20 0.53
TP53 P04637 1/20 0.53
MAPK1 P28482 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
SCHEMBL3579484 0.83 MAPT (0.84) MAPTALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL3581604 0.80 ALDH1A1 (0.77) MAPTALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL3582932 0.80 ALDH1A1 (1.00) MAPTALDH1A1KDM4ERXFP1MEN1
SCHEMBL3584529 0.79 ALDH1A1 (1.00) MAPTALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL3591255 0.77 ALDH1A1 (0.78) MAPTALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL3584748 0.77 ALDH1A1 (0.74) MAPTALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL3587474 0.76 ALDH1A1 (0.65) MAPTALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL3587475 0.76 ALDH1A1 (0.65) MAPTALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL3587099 0.75 SMN1; SMN2 (0.73) MAPTALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL3590223 0.74 RAB9A (0.68) MAPTALDH1A1RAB9ASMN1; SMN2KDM4E

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
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

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 MAPT 1788/4885ALDH1A1 927/4885RAB9A 2428/4885
US-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS SCD, SCD5, ACAT1 MAPT 1782/4885ALDH1A1 910/4885RAB9A 2466/4885

“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.