SCHEMBL3592945

SCHEMBL3592945

Cc1cccc(C(=O)Nc2nc(C)c(C(=O)NC3CCCCC3)s2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.67
NPC1 O15118 6/20 0.67
SMN1; SMN2 Q16637 4/20 0.67
LMNA P02545 3/20 0.64
ALDH1A1 P00352 4/20 0.62
KMT2A Q03164 4/20 0.62
KDM4E B2RXH2 4/20 0.62
MAPT P10636 3/20 0.62
TP53 P04637 2/20 0.54
MEN1 O00255 2/20 0.53
HSP90AA1 P07900 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CRHBP P24387 1/20 0.53
RECQL P46063 1/20 0.53
CRHR2 Q13324 1/20 0.53
SCD O00767 2/20 0.52
LCK P06239 1/20 0.52
KIFC1 Q9BW19 1/20 0.52
USP2 O75604 1/20 0.51
HPGD P15428 1/20 0.49

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
SCHEMBL3585707 0.90 KMT2A (0.67) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL3583994 0.87 LMNA (0.69) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL3586165 0.83 LMNA (0.66) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL3582787 0.82 NPC1 (0.66) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL3581515 0.81 RAB9A (0.81) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL3585047 0.80 LMNA (0.60) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL3584908 0.80 LMNA (0.62) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL5666371 0.80 RAB9A (1.00) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL3587329 0.80 KMT2A (0.81) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL3591337 0.79 LMNA (0.79) RAB9ANPC1SMN1; SMN2LMNAALDH1A1

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 RAB9A 2428/4885NPC1 305/4885SMN1; SMN2 1323/4885
US-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS SCD, SCD5, ACAT1 RAB9A 2466/4885NPC1 298/4885SMN1; SMN2 1277/4885

“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.