SCHEMBL3588056

SCHEMBL3588056

Cc1nc(NC(=O)c2ccc(Br)cc2)sc1C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.63
RAB9A P51151 9/20 0.63
KMT2A Q03164 7/20 0.63
SMN1; SMN2 Q16637 6/20 0.63
ALDH1A1 P00352 2/20 0.63
RXFP1 Q9HBX9 4/20 0.60
NPSR1 Q6W5P4 3/20 0.60
MEN1 O00255 5/20 0.59
KDM4E B2RXH2 5/20 0.59
MAPT P10636 2/20 0.58
PKM P14618 3/20 0.57
TDP1 Q9NUW8 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
GAA P10253 2/20 0.55
LCK P06239 1/20 0.54
LMNA P02545 1/20 0.53
POLB P06746 1/20 0.53
TSHR P16473 1/20 0.53
HTT P42858 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
SCHEMBL27902310 0.89 RAB9A (0.80) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL3579796 0.89 NPC1 (0.79) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL3582729 0.87 NPC1 (0.73) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL3595226 0.86 ALOX5 (0.64) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL4915021 0.86 NPC1 (0.63) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL4346190 0.86 NPC1 (0.80) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL3585022 0.86 RAB9A (0.67) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL3587369 0.85 NPC1 (0.81) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL3587162 0.85 NPC1 (0.73) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL3589387 0.84 SMN1; SMN2 (0.70) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1

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 NPC1 305/4885RAB9A 2428/4885KMT2A 1897/4885
US-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS SCD, SCD5, ACAT1 NPC1 298/4885RAB9A 2466/4885KMT2A 1901/4885

“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.