SCHEMBL206325

SCHEMBL206325

CCCCCCCOc1ccc(Nc2nc(-c3ccc(Cl)s3)cs2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.49
ALDH1A1 P00352 5/20 0.49
RAB9A P51151 5/20 0.49
GAA P10253 3/20 0.49
MEN1 O00255 8/20 0.48
KMT2A Q03164 8/20 0.48
ALOX5 P09917 3/20 0.48
MAPT P10636 6/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
CYP1A2 P05177 1/20 0.46
ALOX12 P18054 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PTGS2 P35354 2/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 1/20 0.43
NFKB1 P19838 1/20 0.42
RECQL P46063 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
CA12 O43570 3/20 0.42

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
SCHEMBL208382 1.00 NPC1 (0.49) NPC1ALDH1A1RAB9AGAAMEN1
SCHEMBL206055 0.84 ALDH1A1 (0.51) NPC1ALDH1A1RAB9AGAAMEN1
SCHEMBL206182 0.84 ALDH1A1 (0.51) NPC1ALDH1A1RAB9AGAAMEN1
SCHEMBL207273 0.84 MEN1 (0.51) NPC1ALDH1A1RAB9AGAAMEN1
SCHEMBL205471 0.84 MEN1 (0.51) NPC1ALDH1A1RAB9AGAAMEN1
SCHEMBL206270 0.83 MEN1 (0.67) NPC1ALDH1A1RAB9AGAAMEN1
SCHEMBL204770 0.83 ALOX5 (0.67) NPC1ALDH1A1RAB9AGAAMEN1
SCHEMBL204653 0.83 MEN1 (0.67) NPC1ALDH1A1RAB9AGAAMEN1
SCHEMBL206510 0.83 CA12 (0.49) NPC1RAB9AMEN1KMT2AALOX5
SCHEMBL207481 0.83 ALOX5 (0.54) NPC1ALDH1A1RAB9AGAAMEN1

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-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US claimed
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 US disclosed
US-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 US disclosed
US-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 US disclosed
US-20070004711-A1 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. 2007-01-04 US disclosed
US-20070004711-A1 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. 2007-01-04 US disclosed
US-20070004711-A1 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. 2007-01-04 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-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE PIGS, CPT1A, SLC10A1 NPC1 62/4885ALDH1A1 109/4885RAB9A 1357/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 NPC1 62/4885ALDH1A1 109/4885RAB9A 1357/4885

“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.