SCHEMBL206405

SCHEMBL206405

CCCCCCCOc1ccc(Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.54
ALDH1A1 P00352 3/20 0.54
MAPT P10636 3/20 0.54
KMT2A Q03164 3/20 0.54
NPC1 O15118 2/20 0.54
GAA P10253 2/20 0.54
RAB9A P51151 2/20 0.54
KDM4E B2RXH2 1/20 0.54
HPGD P15428 1/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
PTPN1 P18031 2/20 0.52
PTPN2 P17706 1/20 0.52
DHODH Q02127 5/20 0.51
PTGDR2 Q9Y5Y4 2/20 0.50
CDC25B P30305 1/20 0.50
DUSP3 P51452 1/20 0.50
AGER Q15109 1/20 0.47
LMNA P02545 1/20 0.46

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
SCHEMBL205540 0.91 MAPT (0.54) MEN1ALDH1A1MAPTKMT2ANPC1
SCHEMBL205787 0.91 MAPT (0.54) MEN1ALDH1A1MAPTKMT2ANPC1
SCHEMBL205709 0.81 MAPT (0.78) MEN1ALDH1A1MAPTKMT2ANPC1
SCHEMBL207067 0.79 MAPT (0.53) MEN1ALDH1A1MAPTKMT2ANPC1
SCHEMBL207091 0.78 RAB9A (0.66) MEN1ALDH1A1MAPTKMT2ANPC1
SCHEMBL251123 0.78 MEN1 (0.55) MEN1ALDH1A1MAPTKMT2ANPC1
SCHEMBL10686112 0.77 MEN1 (0.68) MEN1ALDH1A1MAPTKMT2ANPC1
SCHEMBL207159 0.77 DHODH (0.48) MEN1ALDH1A1MAPTKMT2AGAA
SCHEMBL2697298 0.77 DHODH (0.48) MEN1ALDH1A1MAPTKMT2AGAA
SCHEMBL4208279 0.77 CYP3A4 (0.51) MEN1ALDH1A1MAPTKMT2ANPC1

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 MEN1 3862/4885ALDH1A1 109/4885MAPT 2207/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 MEN1 3862/4885ALDH1A1 109/4885MAPT 2207/4885

“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.