SCHEMBL3587604

SCHEMBL3587604

Cc1ccccc1C(=O)Nc1nc(C)c(C(=O)Nc2ccc3c(c2)CCC3)s1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.71
ALDH1A1 P00352 5/20 0.71
KDM4E B2RXH2 2/20 0.71
HPGD P15428 2/20 0.71
CASP3 P42574 1/20 0.71
SENP7 Q9BQF6 1/20 0.71
KMT2A Q03164 4/20 0.71
MAPT P10636 4/20 0.71
LMNA P02545 2/20 0.71
HSP90AA1 P07900 1/20 0.69
RAB9A P51151 10/20 0.60
MEN1 O00255 2/20 0.53
NPC1 O15118 10/20 0.53
TP53 P04637 5/20 0.53
HTT P42858 4/20 0.53
NFKB1 P19838 2/20 0.53
NFKB2 Q00653 2/20 0.53
RELA Q04206 2/20 0.53
ATM Q13315 1/20 0.51
THRB P10828 1/20 0.50

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
SCHEMBL3588677 0.85 SMN1; SMN2 (0.77) SMN1; SMN2ALDH1A1KDM4EHPGDCASP3
SCHEMBL9139676 0.84 NPC1 (0.71) SMN1; SMN2ALDH1A1HPGDKMT2AMAPT
SCHEMBL3588511 0.83 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1KDM4EHPGDCASP3
SCHEMBL3585043 0.83 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1KDM4EHPGDCASP3
SCHEMBL3584590 0.82 SMN1; SMN2 (0.72) SMN1; SMN2ALDH1A1KDM4EHPGDCASP3
SCHEMBL3584406 0.82 ALDH1A1 (0.72) SMN1; SMN2ALDH1A1KDM4EHPGDCASP3
SCHEMBL3591658 0.82 SMN1; SMN2 (0.85) SMN1; SMN2ALDH1A1KDM4EHPGDCASP3
SCHEMBL3596392 0.82 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1KDM4EHPGDCASP3
SCHEMBL3585305 0.81 SMN1; SMN2 (0.82) SMN1; SMN2ALDH1A1KDM4EHPGDCASP3
SCHEMBL3595676 0.81 SMN1; SMN2 (0.83) SMN1; SMN2ALDH1A1KDM4EHPGDCASP3

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 SMN1; SMN2 1323/4885ALDH1A1 927/4885KDM4E 431/4885
US-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS SCD, SCD5, ACAT1 SMN1; SMN2 1277/4885ALDH1A1 910/4885KDM4E 434/4885

“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.