SCHEMBL253495

SCHEMBL253495

COc1ccc(CNc2nc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)s2)cc1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.69
ALDH1A1 P00352 4/20 0.69
KDM4E B2RXH2 3/20 0.69
GAA P10253 3/20 0.69
LMNA P02545 2/20 0.69
HTT P42858 1/20 0.69
RECQL P46063 1/20 0.69
PTGS2 P35354 5/20 0.66
ACHE P22303 5/20 0.56
NPC1 O15118 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
TGFBR1 P36897 1/20 0.53
PTGS1 P23219 1/20 0.50
RAB9A P51151 1/20 0.49
CLK4 Q9HAZ1 1/20 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
SCHEMBL11368657 0.93 PTGS2 (0.65) MAPTALDH1A1KDM4EGAALMNA
SCHEMBL205725 0.82 ALDH1A1 (0.54) MAPTALDH1A1KDM4EGAALMNA
SCHEMBL1302256 0.81 PTGS2 (0.67) MAPTALDH1A1KDM4EGAALMNA
SCHEMBL6283182 0.80 MAPT (0.64) MAPTALDH1A1KDM4EGAALMNA
SCHEMBL206170 0.78 PTGS2 (0.57) MAPTALDH1A1LMNAHTTPTGS2
SCHEMBL6282302 0.78 MAPT (0.69) MAPTALDH1A1KDM4EGAALMNA
SCHEMBL206635 0.77 PTGS2 (0.58) MAPTALDH1A1LMNAHTTPTGS2
SCHEMBL28804129 0.76 PLTP (0.52) MAPTALDH1A1GAAPTGS2NPC1
SCHEMBL11455410 0.75 PTGS2 (0.66) MAPTALDH1A1KDM4EGAALMNA
SCHEMBL14788731 0.74 NPC1 (0.68) MAPTKDM4EGAANPC1MEN1

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 MAPT 2207/4885ALDH1A1 109/4885KDM4E 2649/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 MAPT 2207/4885ALDH1A1 109/4885KDM4E 2649/4885

“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.