SCHEMBL206163

SCHEMBL206163

CCCCCCCCOc1ccc(Nc2nc(-c3csc(N)n3)cs2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.55
KMT2A Q03164 8/20 0.55
NPC1 O15118 6/20 0.55
ALOX5 P09917 3/20 0.52
RAB9A P51151 6/20 0.49
PTGS2 P35354 2/20 0.48
MAPT P10636 7/20 0.47
GAA P10253 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
CA12 O43570 5/20 0.47
CA1 P00915 5/20 0.47
CA2 P00918 5/20 0.47
CA9 Q16790 5/20 0.47
ALDH1A1 P00352 4/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NFKB1 P19838 2/20 0.45
NFKB2 Q00653 2/20 0.45
RELA Q04206 2/20 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
SCHEMBL205469 0.85 MAPT (0.62) MEN1KMT2ANPC1ALOX5RAB9A
SCHEMBL207574 0.85 MEN1 (0.57) MEN1KMT2ANPC1ALOX5RAB9A
SCHEMBL206048 0.85 MAPT (0.62) MEN1KMT2ANPC1ALOX5RAB9A
SCHEMBL206286 0.85 RAB9A (0.60) MEN1KMT2ANPC1ALOX5RAB9A
SCHEMBL207091 0.85 RAB9A (0.66) MEN1KMT2ANPC1ALOX5RAB9A
SCHEMBL206383 0.85 RAB9A (0.60) MEN1KMT2ANPC1ALOX5RAB9A
SCHEMBL206396 0.85 ALOX5 (0.54) MEN1KMT2ANPC1ALOX5RAB9A
SCHEMBL205162 0.84 PTGS2 (0.73) MEN1KMT2ANPC1ALOX5RAB9A
SCHEMBL207938 0.84 PTGS2 (0.73) MEN1KMT2ANPC1ALOX5RAB9A
SCHEMBL205847 0.83 ATP4A (0.60) MEN1KMT2ANPC1ALOX5RAB9A

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 3862/4885KMT2A 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.