SCHEMBL3587475

SCHEMBL3587475

Cc1nc(NC(=O)C=Cc2ccccc2)sc1C(=O)N1CCCCC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.65
HPGD P15428 7/20 0.65
MEN1 O00255 5/20 0.65
KMT2A Q03164 5/20 0.65
NPSR1 Q6W5P4 4/20 0.65
RAB9A P51151 4/20 0.65
LMNA P02545 2/20 0.62
KDM4E B2RXH2 6/20 0.59
MAPT P10636 5/20 0.59
HSP90AA1 P07900 2/20 0.59
RXFP1 Q9HBX9 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.54
FSCN1 Q16658 1/20 0.51
PKM P14618 1/20 0.50
NPC1 O15118 2/20 0.48
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.48
CYP3A4 P08684 1/20 0.48
GAA P10253 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
SCHEMBL3587474 1.00 ALDH1A1 (0.65) ALDH1A1HPGDMEN1KMT2ANPSR1
SCHEMBL3584074 0.90 ALDH1A1 (0.62) ALDH1A1HPGDMEN1KMT2ANPSR1
SCHEMBL3584076 0.90 ALDH1A1 (0.62) ALDH1A1HPGDMEN1KMT2ANPSR1
SCHEMBL3577530 0.83 HPGD (0.78) ALDH1A1HPGDMEN1KMT2ANPSR1
SCHEMBL3577535 0.83 HPGD (0.78) ALDH1A1HPGDMEN1KMT2ANPSR1
SCHEMBL3581604 0.81 ALDH1A1 (0.77) ALDH1A1HPGDMEN1KMT2ANPSR1
SCHEMBL3587880 0.79 HPGD (0.69) ALDH1A1HPGDMEN1KMT2ANPSR1
SCHEMBL3587882 0.79 HPGD (0.69) ALDH1A1HPGDMEN1KMT2ANPSR1
SCHEMBL3592122 0.79 ALDH1A1 (1.00) ALDH1A1HPGDMEN1KMT2ANPSR1
SCHEMBL3592126 0.79 ALDH1A1 (1.00) ALDH1A1HPGDMEN1KMT2ANPSR1

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 9 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
CN-101208089-A Aminothiazole derivatives as human stearoyl-CoA desaturase inhibitors XENON PHARMACEUTICALS INC (CA) 2008-06-25 CN 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 927/4885HPGD 593/4885MEN1 4846/4885
US-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS SCD, SCD5, ACAT1 ALDH1A1 910/4885HPGD 588/4885MEN1 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.