SCHEMBL206078

SCHEMBL206078

Cc1sc(Nc2cccnc2)nc1-c1ccc(CC(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
KDM4E B2RXH2 7/20 0.53
LMNA P02545 2/20 0.53
POLB P06746 2/20 0.53
KMT2A Q03164 7/20 0.52
MEN1 O00255 6/20 0.52
HPGD P15428 3/20 0.52
PPARG P37231 3/20 0.52
NCOA2 Q15596 3/20 0.52
NCOA1 Q15788 3/20 0.52
NCOA3 Q9Y6Q9 1/20 0.52
PTGDR2 Q9Y5Y4 7/20 0.51
MAPT P10636 8/20 0.50
GAA P10253 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
GFER P55789 2/20 0.50
HTT P42858 1/20 0.50
RORC P51449 1/20 0.46
ROCK2 O75116 1/20 0.45
CDK5 Q00535 1/20 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
SCHEMBL2697621 0.84 ALDH1A1 (0.52) ALDH1A1KDM4ELMNAPOLBKMT2A
SCHEMBL204872 0.80 CDK5 (0.51) ALDH1A1KDM4ELMNAPOLBKMT2A
SCHEMBL206297 0.79 PTGDR2 (0.61) ALDH1A1KDM4EPOLBKMT2AMEN1
SCHEMBL206361 0.79 MAPT (0.54) ALDH1A1KDM4ELMNAPOLBKMT2A
SCHEMBL206401 0.77 MAPT (0.55) ALDH1A1KDM4EPOLBKMT2AMEN1
SCHEMBL208077 0.77 MAPT (0.52) ALDH1A1KDM4EPOLBKMT2AMEN1
SCHEMBL29044481 0.77 PTGDR2 (0.53) ALDH1A1KDM4EPOLBKMT2AMEN1
SCHEMBL30522187 0.77 PTGDR2 (0.53) ALDH1A1KDM4EPOLBKMT2AMEN1
SCHEMBL206045 0.77 DHODH (0.61) ALDH1A1KMT2AMEN1HPGDPTGDR2
SCHEMBL7428151 0.76 CSF1R (0.50) ALDH1A1KDM4ELMNAKMT2AMEN1

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 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 ALDH1A1 109/4885KDM4E 2649/4885LMNA 2668/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 ALDH1A1 109/4885KDM4E 2649/4885LMNA 2668/4885

“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.