SCHEMBL2697728

SCHEMBL2697728

CCCCCCCCOc1ccc(Nc2nc(-c3cccnc3)c(C(=O)OC)s2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
MAPT P10636 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 2/20 0.54
DHODH Q02127 5/20 0.54
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
NPC1 O15118 2/20 0.49
POLB P06746 1/20 0.49
LMNA P02545 1/20 0.49
RAB9A P51151 1/20 0.48
FAAH O00519 8/20 0.48
HPGD P15428 1/20 0.47
PPARG P37231 1/20 0.47
NCOA2 Q15596 1/20 0.47
NCOA1 Q15788 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47

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
SCHEMBL251123 0.92 MEN1 (0.55) MEN1KMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL4208279 0.84 CYP3A4 (0.51) MEN1KMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL207547 0.83 DHODH (0.52) MEN1KMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL205300 0.78 MEN1 (0.78) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL205058 0.78 MEN1 (0.78) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL205584 0.78 MEN1 (0.78) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL204346 0.77 MEN1 (0.80) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL206405 0.75 MEN1 (0.54) MEN1KMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL206385 0.74 MEN1 (0.83) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL205540 0.73 MAPT (0.54) MEN1KMT2AMAPTSMN1; SMN2KDM4E

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 6 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 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-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 3862/4885KMT2A 3476/4885MAPT 2207/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 MEN1 3862/4885KMT2A 3476/4885MAPT 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.