SCHEMBL3582296

SCHEMBL3582296

Cc1nc(NC(=O)c2ccc(C(C)(C)C)cc2)sc1C(=O)Nc1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.72
NPC1 O15118 5/20 0.72
MEN1 O00255 3/20 0.72
KMT2A Q03164 3/20 0.72
KDM4E B2RXH2 2/20 0.72
MAPT P10636 4/20 0.65
ALDH1A1 P00352 7/20 0.63
HTT P42858 4/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
CYP1A2 P05177 1/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2C9 P11712 1/20 0.63
LCK P06239 2/20 0.60
RECQL P46063 1/20 0.59
HPGD P15428 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
LMNA P02545 2/20 0.58
CLK1 P49759 1/20 0.56
PKM P14618 1/20 0.55

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
SCHEMBL3590314 0.90 RAB9A (0.75) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL3588845 0.89 ALDH1A1 (0.70) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL3585022 0.87 RAB9A (0.67) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL3586630 0.87 ALDH1A1 (0.67) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL16607190 0.87 MAPT (0.67) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL3587369 0.86 NPC1 (0.81) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL27902309 0.84 RAB9A (1.00) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL774205 0.83 MAPT (0.81) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL3583248 0.83 RAB9A (0.61) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL3595676 0.81 SMN1; SMN2 (0.83) RAB9ANPC1MEN1KMT2AKDM4E

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 RAB9A 2428/4885NPC1 305/4885MEN1 4846/4885
US-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS SCD, SCD5, ACAT1 RAB9A 2466/4885NPC1 298/4885MEN1 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.