SCHEMBL208697

SCHEMBL208697

O=C(Nc1ccc(OCc2ccccc2)cc1)Nc1nc(-c2ccc(Cl)cc2)cs1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.72
KMT2A Q03164 7/20 0.72
ALDH1A1 P00352 2/20 0.72
MAPT P10636 6/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
ADORA3 P0DMS8 1/20 0.60
LMNA P02545 3/20 0.59
MAPK1 P28482 1/20 0.59
HTT P42858 1/20 0.59
ATM Q13315 1/20 0.57
ROCK1 Q13464 1/20 0.56
ALOX5 P09917 1/20 0.54
EPHX2 P34913 1/20 0.54
PTGS2 P35354 1/20 0.53
NAMPT P43490 1/20 0.52

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
SCHEMBL13200859 0.86 ELOVL1 (0.67) MEN1KMT2AALDH1A1MAPTROCK1
SCHEMBL8823146 0.85 ALDH1A1 (1.00) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL11290339 0.82 ABL1 (0.73) MEN1KMT2AMAPTSMN1; SMN2ROCK1
SCHEMBL2945639 0.81 GBA1 (0.65) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL11290507 0.81 MAPT (0.60) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL10808572 0.79 MEN1 (0.82) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL13234609 0.78 KMT2A (0.71) MEN1KMT2AALDH1A1SMN1; SMN2MAPK1
SCHEMBL6376187 0.78 MEN1 (0.77) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL12507767 0.77 MAPT (0.73) MEN1KMT2AMAPT
SCHEMBL205743 0.76 PTGS2 (0.69) MEN1KMT2AALDH1A1MAPTSMN1; SMN2

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 MEN1 3862/4885KMT2A 3476/4885ALDH1A1 109/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 MEN1 3862/4885KMT2A 3476/4885ALDH1A1 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.