SCHEMBL206396

SCHEMBL206396

CCCCCCCCOc1ccc(Nc2nc(-c3ccc(N)nc3)cs2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.54
MEN1 O00255 8/20 0.54
KMT2A Q03164 8/20 0.54
RAB9A P51151 6/20 0.54
NPC1 O15118 5/20 0.54
PTGS2 P35354 3/20 0.51
MAPT P10636 6/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
GAA P10253 4/20 0.50
VCP P55072 2/20 0.47
CSNK2A1 P68400 1/20 0.46
NFKB1 P19838 3/20 0.46
NFKB2 Q00653 3/20 0.46
RELA Q04206 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 1/20 0.46
MCL1 Q07820 1/20 0.46
RECQL P46063 1/20 0.46
KDM4E B2RXH2 1/20 0.46
CA12 O43570 3/20 0.45

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
SCHEMBL205490 0.88 MEN1 (0.58) ALOX5MEN1KMT2ARAB9ANPC1
SCHEMBL207473 0.88 MEN1 (0.58) ALOX5MEN1KMT2ARAB9ANPC1
SCHEMBL208134 0.88 MEN1 (0.58) ALOX5MEN1KMT2ARAB9ANPC1
SCHEMBL206290 0.88 ALOX5 (0.54) ALOX5MEN1KMT2ARAB9ANPC1
SCHEMBL207244 0.88 ALOX5 (0.54) ALOX5MEN1KMT2ARAB9ANPC1
SCHEMBL206324 0.87 ALOX5 (0.53) ALOX5MEN1KMT2ARAB9ANPC1
SCHEMBL2695794 0.87 ALOX5 (0.53) ALOX5MEN1KMT2ARAB9ANPC1
SCHEMBL206830 0.86 MEN1 (0.53) ALOX5MEN1KMT2ARAB9ANPC1
SCHEMBL207481 0.85 ALOX5 (0.54) ALOX5MEN1KMT2ARAB9ANPC1
SCHEMBL207938 0.85 PTGS2 (0.73) ALOX5MEN1KMT2ARAB9ANPC1

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 11 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-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 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 ALOX5 3410/4885MEN1 3862/4885KMT2A 3476/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 ALOX5 3410/4885MEN1 3862/4885KMT2A 3476/4885

“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.