SCHEMBL5559730

SCHEMBL5559730

COc1cnc(N2CCOCC2)cc1NC(=S)NC(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.59
▸ KMT2A Q03164 5/20 0.57
▸ ALDH1A1 P00352 8/20 0.57
▸ MAPT P10636 6/20 0.57
▸ LMNA P02545 3/20 0.57
▸ SMN1; SMN2 Q16637 5/20 0.54
▸ EPHX1 P07099 2/20 0.54
▸ NPC1 O15118 2/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ MEN1 O00255 4/20 0.52
▸ GPR55 Q9Y2T6 3/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ ATM Q13315 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ NPSR1 Q6W5P4 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
SCHEMBL3053531 0.83 MAPT (0.66) GAAKMT2AALDH1A1MAPTLMNA
SCHEMBL5558780 0.80 CYP2C19 (0.45) GAAALDH1A1SMN1; SMN2CYP2C19
SCHEMBL5559741 0.80 MAPT (0.46) KMT2AALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL11154017 0.74 MAPT (0.65) GAAKMT2AALDH1A1MAPTLMNA
SCHEMBL4574907 0.73 EPHX1 (0.57) GAAKMT2AALDH1A1MAPTLMNA
SCHEMBL14096286 0.72 DGAT1 (0.59) KMT2AALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL16119683 0.71 EPHX1 (0.81) GAAKMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL5448142 0.71 MAPT (1.00) GAAKMT2AALDH1A1MAPTLMNA
SCHEMBL17610109 0.70 ALDH1A1 (0.56) GAAKMT2AALDH1A1MAPTLMNA
SCHEMBL6874178 0.70 EPHX1 (0.53) GAAKMT2AALDH1A1MAPTLMNA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7273865-B2 Thiazolopyridine HOFFMANN-LA ROCHE INC. (US) 2007-09-25 — — US disclosed
US-7273865-B2 Thiazolopyridine HOFFMANN-LA ROCHE INC. (US) 2007-09-25 — — US disclosed
US-7273865-B2 Thiazolopyridine HOFFMANN-LA ROCHE INC. (US) 2007-09-25 — — US disclosed
EP-1670805-A1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-21 — — EP disclosed
WO-2005028484-A1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2005-03-31 — — WO disclosed
US-20050065151-A1 Thiazolopyridine HOFFMANN-LA ROCHE INC. 2005-03-24 — — US disclosed
US-20050065151-A1 Thiazolopyridine HOFFMANN-LA ROCHE INC. 2005-03-24 — — US disclosed
US-20050065151-A1 Thiazolopyridine HOFFMANN-LA ROCHE INC. 2005-03-24 — — 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-20050065151-A1 Thiazolopyridine ADORA2A, ADORA3, ADORA1 GAA 1264/4885KMT2A 2943/4885ALDH1A1 133/4885

“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.

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