SCHEMBL204653

SCHEMBL204653

CCCCCCCOc1ccc(Nc2nc(-c3cccs3)cs2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 14/20 0.67
KMT2A Q03164 14/20 0.67
MAPT P10636 13/20 0.67
RAB9A P51151 10/20 0.67
NPC1 O15118 9/20 0.67
SMN1; SMN2 Q16637 8/20 0.67
ALDH1A1 P00352 7/20 0.67
CYP1A2 P05177 1/20 0.67
VCP P55072 1/20 0.58
PTPN2 P17706 1/20 0.52
PTPN1 P18031 1/20 0.52
NFKB1 P19838 6/20 0.50
NFKB2 Q00653 6/20 0.50
RELA Q04206 6/20 0.50
GAA P10253 5/20 0.50
KDM4E B2RXH2 4/20 0.50
MAPK1 P28482 3/20 0.50
HSD17B10 Q99714 2/20 0.50
HPGD P15428 1/20 0.50
ALOX5 P09917 2/20 0.49

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
SCHEMBL206270 1.00 MEN1 (0.67) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL206286 0.84 RAB9A (0.60) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL207091 0.84 RAB9A (0.66) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL206383 0.84 RAB9A (0.60) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL206325 0.83 NPC1 (0.49) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL208382 0.83 NPC1 (0.49) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL207273 0.83 MEN1 (0.51) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL205471 0.83 MEN1 (0.51) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL206163 0.83 MEN1 (0.55) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL205469 0.82 MAPT (0.62) MEN1KMT2AMAPTRAB9ANPC1

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 3476/4885MAPT 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.