SCHEMBL3589722

SCHEMBL3589722

Cc1ccccc1NC(=O)c1sc(NC(=O)c2ccco2)nc1C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.71
PKM P14618 2/20 0.71
TDP1 Q9NUW8 1/20 0.71
ALDH1A1 P00352 5/20 0.68
HPGD P15428 5/20 0.68
KDM4E B2RXH2 4/20 0.68
MAPT P10636 4/20 0.68
MEN1 O00255 4/20 0.68
KMT2A Q03164 4/20 0.68
POLB P06746 2/20 0.68
LMNA P02545 2/20 0.68
TSHR P16473 1/20 0.68
RAB9A P51151 6/20 0.64
NPC1 O15118 4/20 0.59
TP53 P04637 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
ATM Q13315 1/20 0.55

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
SCHEMBL3587473 0.86 KDM4E (0.81) LCKPKMTDP1ALDH1A1HPGD
SCHEMBL4397896 0.84 PKM (0.83) LCKPKMTDP1ALDH1A1HPGD
SCHEMBL773591 0.83 LCK (1.00) LCKPKMTDP1ALDH1A1HPGD
SCHEMBL3587905 0.83 PKM (1.00) LCKPKMTDP1ALDH1A1HPGD
SCHEMBL5607983 0.83 CHRNA7 (0.60) LCKALDH1A1KDM4EMAPTMEN1
SCHEMBL773972 0.83 LCK (1.00) LCKPKMTDP1ALDH1A1HPGD
SCHEMBL6638142 0.83 ATM (0.77) PKMALDH1A1HPGDKDM4EMAPT
SCHEMBL3590371 0.82 LCK (0.70) LCKPKMALDH1A1HPGDKDM4E
SCHEMBL3580403 0.80 RAB9A (0.67) LCKPKMALDH1A1HPGDKDM4E
SCHEMBL3597783 0.79 KMT2A (0.61) LCKALDH1A1HPGDKDM4EMAPT

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 LCK 3020/4885PKM 1471/4885TDP1 2241/4885
US-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS SCD, SCD5, ACAT1 LCK 3013/4885PKM 1445/4885TDP1 2226/4885

“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.