SCHEMBL3589387

SCHEMBL3589387

Cc1nc(NC(=O)c2ccncc2)sc1C(=O)O

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.70
KDM4E B2RXH2 3/20 0.70
HTT P42858 1/20 0.70
MAPT P10636 2/20 0.61
CLK1 P49759 1/20 0.61
NPC1 O15118 8/20 0.60
RAB9A P51151 7/20 0.60
KMT2A Q03164 4/20 0.60
ALDH1A1 P00352 3/20 0.60
PKM P14618 2/20 0.59
TDP1 Q9NUW8 1/20 0.59
RXFP1 Q9HBX9 3/20 0.58
NPSR1 Q6W5P4 2/20 0.58
MEN1 O00255 3/20 0.56
LCK P06239 2/20 0.55
CHRM4 P08173 1/20 0.55
GAA P10253 2/20 0.53
LMNA P02545 1/20 0.52
TP53 P04637 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
SCHEMBL3582729 0.88 NPC1 (0.73) SMN1; SMN2KDM4EMAPTCLK1NPC1
SCHEMBL3579796 0.87 NPC1 (0.79) SMN1; SMN2KDM4ENPC1RAB9AKMT2A
SCHEMBL4199061 0.85 NPC1 (0.63) SMN1; SMN2KDM4EHTTNPC1RAB9A
SCHEMBL4346190 0.84 NPC1 (0.80) SMN1; SMN2KDM4EHTTNPC1RAB9A
SCHEMBL3588056 0.84 NPC1 (0.63) SMN1; SMN2KDM4EHTTMAPTNPC1
SCHEMBL3595226 0.84 ALOX5 (0.64) SMN1; SMN2KDM4EHTTNPC1RAB9A
SCHEMBL4915021 0.84 NPC1 (0.63) SMN1; SMN2KDM4EHTTNPC1RAB9A
SCHEMBL3587369 0.83 NPC1 (0.81) SMN1; SMN2KDM4ENPC1RAB9AKMT2A
SCHEMBL3587162 0.83 NPC1 (0.73) SMN1; SMN2KDM4ENPC1RAB9AKMT2A
SCHEMBL3582251 0.83 SMN1; SMN2 (1.00) SMN1; SMN2KDM4EHTTNPC1RAB9A

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 7 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 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
CN-101208089-A Aminothiazole derivatives as human stearoyl-CoA desaturase inhibitors XENON PHARMACEUTICALS INC (CA) 2008-06-25 CN 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 SMN1; SMN2 1323/4885KDM4E 431/4885HTT 1544/4885
US-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS SCD, SCD5, ACAT1 SMN1; SMN2 1277/4885KDM4E 434/4885HTT 1527/4885

“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.