SCHEMBL252991

SCHEMBL252991

CC(=O)c1cccc(Nc2nc(-c3c(C)nc4cc(C)ccn34)cs2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.66
MAPT P10636 6/20 0.66
GAA P10253 5/20 0.66
SMN1; SMN2 Q16637 5/20 0.66
LMNA P02545 5/20 0.66
KDM4E B2RXH2 4/20 0.66
NPSR1 Q6W5P4 4/20 0.66
HTT P42858 4/20 0.66
NR2F2 P24468 1/20 0.66
CACNA1B Q00975 2/20 0.60
APBA1 Q02410 2/20 0.60
KLF5 Q13887 1/20 0.60
MEN1 O00255 8/20 0.59
KMT2A Q03164 8/20 0.59
SYK P43405 1/20 0.59
RAB9A P51151 3/20 0.58
NPC1 O15118 2/20 0.58
POLB P06746 1/20 0.58
AMY1A P0DUB6 1/20 0.57
ALOX5 P09917 1/20 0.56

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
SCHEMBL12789774 0.89 MAPT (0.76) ALDH1A1MAPTGAASMN1; SMN2LMNA
SCHEMBL2352343 0.89 SYK (0.62) ALDH1A1MAPTGAASMN1; SMN2LMNA
SCHEMBL1684587 0.86 CACNA1B (0.79) ALDH1A1MAPTGAASMN1; SMN2LMNA
Bromide SCHEMBL18040686 0.85 CACNA1B (0.78) ALDH1A1MAPTGAASMN1; SMN2LMNA
SCHEMBL4148720 0.83 SYK (0.62) ALDH1A1MAPTGAASMN1; SMN2LMNA
SCHEMBL1684803 0.83 ALOX5 (0.64) ALDH1A1MAPTGAASMN1; SMN2LMNA
SCHEMBL1684866 0.83 MEN1 (0.57) ALDH1A1MAPTGAASMN1; SMN2LMNA
SCHEMBL1684933 0.83 CACNA1B (0.74) ALDH1A1MAPTGAASMN1; SMN2LMNA
Bromide SCHEMBL18040661 0.82 ALOX5 (0.63) ALDH1A1MAPTGAASMN1; SMN2LMNA
Bromide SCHEMBL18040816 0.82 MEN1 (0.57) ALDH1A1MAPTGAASMN1; SMN2LMNA

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 8 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-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 ALDH1A1 109/4885MAPT 2207/4885GAA 1359/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 ALDH1A1 109/4885MAPT 2207/4885GAA 1359/4885

“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.