SCHEMBL208212

SCHEMBL208212

CCCCCCCCOc1ccc(Nc2nc(-c3cccnc3C)cs2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
CDC25B P30305 1/20 0.49
AMY1A P0DUB6 1/20 0.47
ALOX5 P09917 2/20 0.47
MAPT P10636 4/20 0.45
GAA P10253 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
NFKB1 P19838 1/20 0.43
RECQL P46063 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
PTGS2 P35354 2/20 0.43
CA12 O43570 3/20 0.43

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
SCHEMBL250132 0.84 AMY1A (0.69) MEN1KMT2ANPC1RAB9AAMY1A
SCHEMBL248273 0.84 AMY1A (0.69) MEN1KMT2ANPC1RAB9AAMY1A
SCHEMBL205469 0.84 MAPT (0.62) MEN1KMT2ANPC1RAB9AALOX5
SCHEMBL206048 0.84 MAPT (0.62) MEN1KMT2ANPC1RAB9AALOX5
SCHEMBL206944 0.83 VCP (0.64) MEN1KMT2ANPC1RAB9AAMY1A
SCHEMBL205560 0.83 VCP (0.64) MEN1KMT2ANPC1RAB9AAMY1A
SCHEMBL207091 0.81 RAB9A (0.66) MEN1KMT2ANPC1RAB9AAMY1A
SCHEMBL206383 0.81 RAB9A (0.60) MEN1KMT2ANPC1RAB9AALOX5
SCHEMBL206286 0.81 RAB9A (0.60) MEN1KMT2ANPC1RAB9AALOX5
SCHEMBL205058 0.81 MEN1 (0.78) MEN1KMT2ANPC1RAB9AMAPT

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-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-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 3862/4885KMT2A 3476/4885NPC1 62/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 MEN1 3862/4885KMT2A 3476/4885NPC1 62/4885

“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.