SCHEMBL3582684

SCHEMBL3582684

Cc1nc(NC(=O)c2ccncc2)sc1C(=O)NCCCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.57
KDM4E B2RXH2 3/20 0.57
HTT P42858 1/20 0.57
ALDH1A1 P00352 4/20 0.56
LMNA P02545 1/20 0.56
SCD O00767 1/20 0.53
MAPT P10636 2/20 0.53
CLK1 P49759 1/20 0.53
RAB9A P51151 5/20 0.53
LCK P06239 2/20 0.51
NPC1 O15118 5/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
PKM P14618 1/20 0.49
USP2 O75604 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
EPHX2 P34913 1/20 0.48
POLB P06746 1/20 0.47

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
SCHEMBL3593617 0.94 RAB9A (0.62) SMN1; SMN2KDM4EHTTALDH1A1LMNA
SCHEMBL3587853 0.87 SCD (0.70) SMN1; SMN2KDM4EHTTALDH1A1LMNA
SCHEMBL3589119 0.87 ALDH1A1 (0.65) SMN1; SMN2ALDH1A1LMNASCDMAPT
SCHEMBL27706918 0.84 ALDH1A1 (0.52) SMN1; SMN2KDM4EHTTALDH1A1LMNA
SCHEMBL14479274 0.82 RAB9A (0.48) SMN1; SMN2KDM4EALDH1A1SCDRAB9A
SCHEMBL3583154 0.80 SCD (0.76) SMN1; SMN2ALDH1A1LMNASCDMAPT
SCHEMBL1568233 0.79 RAB9A (0.82) SMN1; SMN2KDM4EALDH1A1RAB9ANPC1
SCHEMBL3592582 0.79 SMN1; SMN2 (0.59) SMN1; SMN2KDM4EHTTALDH1A1LMNA
SCHEMBL3589387 0.78 SMN1; SMN2 (0.70) SMN1; SMN2KDM4EHTTALDH1A1LMNA
SCHEMBL27727653 0.78 ALDH1A1 (0.53) SMN1; SMN2KDM4EHTTALDH1A1LMNA

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 15 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-8541457-B2 Aminothiazole derivatives as human stearoyl-CoA desaturase inhibitors XENON PHARMACEUTICALS INC. (CA) 2013-09-24 US disclosed
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
US-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2013-04-18 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
US-20100152187-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2010-06-17 US disclosed
US-20100152187-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2010-06-17 US 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.