SCHEMBL3583698

SCHEMBL3583698

Cc1nc(NC(=O)c2cccc(Cl)c2)sc1C(=O)N1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 11/20 1.00
MEN1 O00255 10/20 1.00
ALDH1A1 P00352 7/20 1.00
MAPT P10636 7/20 1.00
KDM4E B2RXH2 4/20 1.00
HSP90AA1 P07900 1/20 1.00
L3MBTL1 Q9Y468 1/20 1.00
LMNA P02545 3/20 0.60
GAA P10253 3/20 0.60
HPGD P15428 2/20 0.60
HTT P42858 1/20 0.60
NPC1 O15118 4/20 0.54
RAB9A P51151 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
GCK P35557 1/20 0.52
GRM5 P41594 1/20 0.52
NPSR1 Q6W5P4 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48

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
SCHEMBL3587329 0.89 KMT2A (0.81) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL3581604 0.87 ALDH1A1 (0.77) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL4200739 0.82 MEN1 (0.69) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL3589503 0.81 KMT2A (0.67) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL3585707 0.80 KMT2A (0.67) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL3587469 0.78 MEN1 (0.63) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL14356726 0.77 MEN1 (0.62) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL14356710 0.77 MEN1 (0.62) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL3590223 0.77 RAB9A (0.68) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL14356731 0.76 MEN1 (0.61) KMT2AMEN1ALDH1A1MAPTKDM4E

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 8 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

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 KMT2A 1897/4885MEN1 4846/4885ALDH1A1 927/4885
US-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS SCD, SCD5, ACAT1 KMT2A 1901/4885MEN1 4846/4885ALDH1A1 910/4885

“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.