SCHEMBL3584915

SCHEMBL3584915

O=C(Nc1nc(Cl)c(C(=O)O)s1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.58
ADORA2A P29274 3/20 0.58
ADORA1 P30542 3/20 0.58
NPC1 O15118 5/20 0.57
RAB9A P51151 5/20 0.57
KMT2A Q03164 5/20 0.57
SMN1; SMN2 Q16637 5/20 0.57
ALDH1A1 P00352 3/20 0.57
MEN1 O00255 4/20 0.56
PKM P14618 1/20 0.56
LCK P06239 2/20 0.54
CASP3 P42574 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
NPSR1 Q6W5P4 3/20 0.51
MAPT P10636 3/20 0.51
KDM4E B2RXH2 2/20 0.51
LMNA P02545 2/20 0.51
HTT P42858 2/20 0.51
SCD O00767 1/20 0.51

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
SCHEMBL3585338 0.83 SCD (0.56) ADORA3ADORA2AADORA1NPC1RAB9A
SCHEMBL17732540 0.82 NPC1 (0.73) ADORA3ADORA2AADORA1NPC1RAB9A
SCHEMBL3584743 0.82 ADORA3 (0.58) ADORA3ADORA2AADORA1NPC1RAB9A
SCHEMBL3582729 0.82 NPC1 (0.73) ADORA3ADORA2AADORA1NPC1RAB9A
SCHEMBL3587631 0.81 ADORA3 (0.82) ADORA3ADORA2AADORA1NPC1RAB9A
SCHEMBL3587795 0.79 KMT2A (0.61) ADORA3ADORA2AADORA1NPC1RAB9A
SCHEMBL25296431 0.79 ALDH1A1 (0.44) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL17732650 0.77 ADORA3 (0.53) ADORA3ADORA2AADORA1NPC1RAB9A
SCHEMBL3585829 0.77 NPC1 (0.69) ADORA3ADORA2AADORA1NPC1RAB9A
SCHEMBL4197928 0.76 NPC1 (0.67) ADORA3ADORA2AADORA1NPC1RAB9A

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 6 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
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 ADORA3 2751/4885ADORA2A 3161/4885ADORA1 2526/4885
US-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS SCD, SCD5, ACAT1 ADORA3 2747/4885ADORA2A 3117/4885ADORA1 2496/4885

“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.