SCHEMBL3595563

SCHEMBL3595563

Cc1nc(N)sc1C(=O)Nc1cccc(Cl)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.77
RAB9A P51151 6/20 0.70
NPC1 O15118 4/20 0.70
KMT2A Q03164 6/20 0.66
MEN1 O00255 4/20 0.66
POLB P06746 3/20 0.66
PKM P14618 1/20 0.59
ALDH1A1 P00352 6/20 0.59
MAPT P10636 4/20 0.59
KDM4E B2RXH2 3/20 0.59
HPGD P15428 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.57
TP53 P04637 1/20 0.57
LCK P06239 1/20 0.55
CASP3 P42574 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
LMNA P02545 3/20 0.53
MAPK1 P28482 2/20 0.53

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
SCHEMBL3595560 0.85 L3MBTL1 (0.73) L3MBTL1RAB9ANPC1KMT2AMEN1
SCHEMBL3590007 0.84 RAB9A (0.79) L3MBTL1RAB9ANPC1KMT2AMEN1
SCHEMBL42334 0.84 RAB9A (0.97) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL3587933 0.84 POLB (0.74) L3MBTL1RAB9ANPC1KMT2AMEN1
SCHEMBL1540178 0.80 POLB (0.62) L3MBTL1RAB9ANPC1KMT2APOLB
SCHEMBL27706883 0.79 L3MBTL1 (0.52) L3MBTL1RAB9ANPC1KMT2AMEN1
SCHEMBL3588764 0.78 MAPT (0.76) L3MBTL1RAB9ANPC1KMT2AMEN1
Trifluoroacetic Acid SCHEMBL6104602 0.77 RAB9A (0.82) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL1539962 0.77 LCK (0.66) RAB9ANPC1LCK
SCHEMBL1540033 0.77 LCK (0.74) L3MBTL1RAB9ANPC1KMT2AALDH1A1

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
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 L3MBTL1 942/4885RAB9A 2428/4885NPC1 305/4885
US-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS SCD, SCD5, ACAT1 L3MBTL1 957/4885RAB9A 2466/4885NPC1 298/4885

“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.