SCHEMBL3587103

SCHEMBL3587103

Cc1nc(NC(=O)COc2ccccc2)sc1C(=O)NC1CCc2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
MAPT P10636 7/20 0.61
RAB9A P51151 5/20 0.61
KDM4E B2RXH2 3/20 0.61
RXFP1 Q9HBX9 2/20 0.61
NPC1 O15118 3/20 0.60
TSHR P16473 1/20 0.60
CNR1 P21554 2/20 0.56
CNR2 P34972 1/20 0.56
HPGD P15428 2/20 0.50
LMNA P02545 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
POLB P06746 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
GAA P10253 1/20 0.48
ATM Q13315 1/20 0.48
TAOK1 Q7L7X3 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
SCHEMBL5613910 0.86 CNR1 (0.66) MAPTRAB9ANPC1CNR1CNR2
SCHEMBL3588679 0.83 CNR1 (0.65) RAB9AKDM4ENPC1CNR1CNR2
SCHEMBL3584410 0.83 CNR1 (0.64) MEN1KMT2ARAB9ANPC1CNR1
SCHEMBL3580399 0.81 MEN1 (0.62) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL774421 0.80 CNR1 (0.58) RAB9ANPC1CNR1CNR2
SCHEMBL3587605 0.80 CNR1 (0.60) ALDH1A1SMN1; SMN2MAPTRAB9ANPC1
SCHEMBL3590057 0.80 CNR1 (0.63) SMN1; SMN2MEN1KMT2ARAB9AKDM4E
SCHEMBL3588515 0.80 CNR1 (0.60) ALDH1A1SMN1; SMN2KMT2ARAB9AKDM4E
SCHEMBL3590254 0.79 HPGD (0.63) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL3591664 0.79 CNR1 (0.58) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT

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 12 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
EP-2029138-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2009-03-04 EP claimed
WO-2007130075-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2007-11-15 WO 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 ALDH1A1 927/4885SMN1; SMN2 1323/4885MEN1 4846/4885
US-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS SCD, SCD5, ACAT1 ALDH1A1 910/4885SMN1; SMN2 1277/4885MEN1 4846/4885

“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.