SCHEMBL3587041

SCHEMBL3587041

O=C(Nc1nc2c(s1)C(=O)NCCC2)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.70
ALDH1A1 P00352 9/20 0.70
RAB9A P51151 8/20 0.70
SMN1; SMN2 Q16637 6/20 0.70
POLB P06746 2/20 0.70
TP53 P04637 2/20 0.70
KDM4E B2RXH2 1/20 0.65
TSHR P16473 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ADORA2A P29274 1/20 0.50
ADORA1 P30542 1/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
LMNA P02545 3/20 0.49
GRM5 P41594 1/20 0.46
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
PKM P14618 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL3590257 0.84 ALDH1A1 (0.68) NPC1ALDH1A1RAB9ASMN1; SMN2POLB
SCHEMBL24687230 0.82 ALDH1A1 (0.49) NPC1ALDH1A1RAB9ASMN1; SMN2POLB
SCHEMBL3587356 0.80 ALDH1A1 (0.51) NPC1ALDH1A1RAB9ASMN1; SMN2POLB
SCHEMBL3588586 0.79 ALDH1A1 (1.00) NPC1ALDH1A1RAB9ASMN1; SMN2POLB
SCHEMBL24686250 0.76 MEN1 (0.45) NPC1ALDH1A1RAB9ASMN1; SMN2POLB
SCHEMBL3109465 0.76 NPC1 (0.77) NPC1ALDH1A1RAB9ASMN1; SMN2POLB
SCHEMBL16562034 0.72 ALDH1A1 (0.79) NPC1ALDH1A1RAB9ASMN1; SMN2POLB
SCHEMBL17916714 0.72 ALDH1A1 (0.75) NPC1ALDH1A1RAB9ASMN1; SMN2POLB
SCHEMBL158801 0.68 TSHR (0.65) ALDH1A1TSHRGRM5
SCHEMBL17916670 0.68 NPC1 (0.65) NPC1ALDH1A1RAB9ASMN1; SMN2POLB

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 8 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
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 NPC1 305/4885ALDH1A1 927/4885RAB9A 2428/4885
US-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS SCD, SCD5, ACAT1 NPC1 298/4885ALDH1A1 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.