SCHEMBL2705337

SCHEMBL2705337

C=C(CCC)c1ccc(Nc2nc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)s2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.53
GAA P10253 8/20 0.53
ALDH1A1 P00352 7/20 0.52
KDM4E B2RXH2 4/20 0.52
LMNA P02545 4/20 0.50
PTGS2 P35354 2/20 0.50
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
DHODH Q02127 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HTT P42858 2/20 0.49
RECQL P46063 2/20 0.49
NPC1 O15118 2/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
PTGDR2 Q9Y5Y4 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
THRB P10828 1/20 0.46
JUN P05412 1/20 0.44

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
SCHEMBL207160 0.80 DHODH (0.69) MAPTGAAALDH1A1KDM4ELMNA
SCHEMBL205787 0.78 MAPT (0.54) MAPTGAAALDH1A1KDM4ELMNA
SCHEMBL205540 0.78 MAPT (0.54) MAPTGAAALDH1A1KDM4ELMNA
SCHEMBL208098 0.78 MAPT (0.63) MAPTGAAALDH1A1KDM4ELMNA
SCHEMBL205709 0.77 MAPT (0.78) MAPTGAAALDH1A1KDM4ELMNA
SCHEMBL207067 0.77 MAPT (0.53) MAPTGAAALDH1A1KDM4ELMNA
SCHEMBL6281996 0.72 MAPT (0.62) MAPTGAAALDH1A1KDM4ELMNA
SCHEMBL6546740 0.70 MAPT (0.63) MAPTGAAALDH1A1KDM4ELMNA
SCHEMBL918248 0.70 MAPT (1.00) MAPTGAAALDH1A1LMNAPTGS2
SCHEMBL206405 0.69 MEN1 (0.54) MAPTGAAALDH1A1KDM4ELMNA

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 4 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 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 MAPT 2207/4885GAA 1359/4885ALDH1A1 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.