SCHEMBL3584908

SCHEMBL3584908

COc1cc(C(=O)Nc2nc(C)c(C(=O)NC3CCCCC3)s2)cc(OC)c1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.62
POLB P06746 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
HPGD P15428 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ALOX5 P09917 1/20 0.52
TP53 P04637 2/20 0.51
ALDH1A1 P00352 1/20 0.51
TACR2 P21452 1/20 0.49
TACR1 P25103 1/20 0.49
CHRM4 P08173 1/20 0.49
MAPT P10636 3/20 0.48
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
MAPK1 P28482 1/20 0.48
OPRK1 P41145 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
BRD4 O60885 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
SCHEMBL27706996 0.83 ALOX5 (0.47) LMNAPOLBSMN1; SMN2MEN1KMT2A
SCHEMBL3596004 0.82 HPGD (0.64) POLBSMN1; SMN2MEN1KMT2AHPGD
SCHEMBL3583994 0.81 LMNA (0.69) LMNASMN1; SMN2MEN1KMT2AHPGD
SCHEMBL3588790 0.80 PDE4A (0.56) SMN1; SMN2MEN1KMT2AHPGDKDM4E
SCHEMBL3592945 0.80 RAB9A (0.67) LMNASMN1; SMN2MEN1KMT2AHPGD
SCHEMBL3586165 0.80 LMNA (0.66) LMNASMN1; SMN2MEN1KMT2AHPGD
SCHEMBL3140700 0.79 POLB (0.77) POLBMEN1KMT2AALDH1A1TACR2
SCHEMBL3583803 0.79 MEN1 (0.65) SMN1; SMN2MEN1KMT2AHPGDKDM4E
SCHEMBL3582787 0.79 NPC1 (0.66) LMNASMN1; SMN2MEN1KMT2AHPGD
SCHEMBL3585707 0.78 KMT2A (0.67) LMNAPOLBSMN1; SMN2MEN1KMT2A

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 LMNA 1423/4885POLB 3214/4885SMN1; SMN2 1323/4885
US-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS SCD, SCD5, ACAT1 LMNA 1399/4885POLB 3199/4885SMN1; 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.