SCHEMBL206539

SCHEMBL206539

CC(=O)Nc1ccc(Nc2nc(-c3cccnc3)cs2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.77
TDP1 Q9NUW8 2/20 0.77
ALDH1A1 P00352 2/20 0.77
KDM4E B2RXH2 1/20 0.77
GAA P10253 3/20 0.73
PKM P14618 1/20 0.73
VCP P55072 1/20 0.73
RAB9A P51151 11/20 0.72
NPC1 O15118 10/20 0.72
MEN1 O00255 11/20 0.70
KMT2A Q03164 11/20 0.70
MAPT P10636 6/20 0.70
LMNA P02545 1/20 0.70
MAPK1 P28482 3/20 0.69
TP53 P04637 1/20 0.69
CASP3 P42574 2/20 0.68
SENP8 Q96LD8 2/20 0.68
SENP7 Q9BQF6 2/20 0.68
SENP6 Q9GZR1 2/20 0.68
NCOA3 Q9Y6Q9 1/20 0.64

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
SCHEMBL1822161 0.87 KMT2A (0.73) SMN1; SMN2ALDH1A1KDM4EGAAPKM
SCHEMBL10697632 0.87 ALDH1A1 (0.76) SMN1; SMN2TDP1ALDH1A1KDM4EGAA
SCHEMBL16607311 0.87 ALDH1A1 (1.00) SMN1; SMN2TDP1ALDH1A1KDM4EGAA
SCHEMBL28707165 0.85 NPC1 (0.72) SMN1; SMN2TDP1ALDH1A1KDM4EGAA
SCHEMBL29654038 0.85 NPC1 (0.72) SMN1; SMN2TDP1ALDH1A1KDM4EGAA
SCHEMBL1886996 0.85 VCP (1.00) SMN1; SMN2TDP1ALDH1A1GAAPKM
SCHEMBL206486 0.85 MEN1 (0.76) SMN1; SMN2TDP1ALDH1A1GAAPKM
SCHEMBL205932 0.84 GAA (0.65) SMN1; SMN2TDP1ALDH1A1KDM4EGAA
SCHEMBL14155921 0.84 RAB9A (1.00) SMN1; SMN2TDP1GAAPKMVCP
SCHEMBL208199 0.84 RAB9A (0.82) SMN1; SMN2TDP1ALDH1A1KDM4EGAA

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-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 SMN1; SMN2 3252/4885TDP1 1045/4885ALDH1A1 109/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 SMN1; SMN2 3252/4885TDP1 1045/4885ALDH1A1 109/4885

“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.