SCHEMBL3584529

SCHEMBL3584529

Cc1nc(NC(=O)COc2ccccc2)sc1C(=O)Nc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 1.00
SMN1; SMN2 Q16637 5/20 1.00
MEN1 O00255 3/20 1.00
KMT2A Q03164 3/20 1.00
MAPT P10636 7/20 0.88
KDM4E B2RXH2 2/20 0.88
RAB9A P51151 8/20 0.77
RXFP1 Q9HBX9 2/20 0.77
NPC1 O15118 5/20 0.75
TSHR P16473 1/20 0.75
CYP1A2 P05177 1/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2C9 P11712 1/20 0.65
HTT P42858 1/20 0.65
NPSR1 Q6W5P4 2/20 0.60
POLB P06746 1/20 0.60
TP53 P04637 1/20 0.58
RECQL P46063 1/20 0.57
HPGD P15428 1/20 0.57

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
SCHEMBL3579484 0.88 MAPT (0.84) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL3591255 0.88 ALDH1A1 (0.78) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL3584748 0.85 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL3587099 0.85 SMN1; SMN2 (0.73) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL774205 0.82 MAPT (0.81) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL3582480 0.79 MAPT (0.69) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL3590314 0.79 RAB9A (0.75) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL3587103 0.78 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL6875704 0.78 MAPT (0.65) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL4188209 0.78 MAPT (0.70) 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 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 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.