SCHEMBL2072900

SCHEMBL2072900

COC(COc1ccc([N+](=O)[O-])cc1)OC

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
GAA P10253 2/20 0.52
PTGS2 P35354 2/20 0.51
LMNA P02545 4/20 0.50
MAPT P10636 3/20 0.50
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.47
MAOB P27338 1/20 0.47
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
THRB P10828 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
KCNH2 Q12809 1/20 0.46

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
SCHEMBL11463349 0.85 GAA (0.55) ALDH1A1GAAPTGS2LMNAMAPT
SCHEMBL11757787 0.83 PTGS2 (0.56) ALDH1A1GAAPTGS2LMNAMAPT
SCHEMBL5141282 0.83 MAPT (0.53) ALDH1A1GAAPTGS2LMNAMAPT
SCHEMBL10643494 0.82 GAA (0.58) ALDH1A1GAAPTGS2LMNAMAPT
SCHEMBL3045885 0.82 MAPT (0.68) ALDH1A1GAAPTGS2LMNAMAPT
SCHEMBL5519855 0.82 MAPT (0.56) ALDH1A1GAAPTGS2LMNAMAPT
SCHEMBL6526858 0.80 ALDH1A1 (0.48) ALDH1A1GAAPTGS2LMNAMAPT
SCHEMBL8605149 0.79 GAA (0.56) ALDH1A1GAAPTGS2LMNAMAPT
SCHEMBL27183219 0.79 GAA (0.56) ALDH1A1GAAPTGS2LMNAMAPT
SCHEMBL19201789 0.79 ALDH1A1 (0.57) ALDH1A1GAAPTGS2LMNAMAPT

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-7902356-B2 Thiazolopyridinone derivates as MCH receptor antagonists ELI LILLY AND COMPANY (US) 2011-03-08 US disclosed
US-7902356-B2 Thiazolopyridinone derivates as MCH receptor antagonists ELI LILLY AND COMPANY (US) 2011-03-08 US disclosed
EP-1828207-B1 THIAZOLOPYRIDINONE DERIVATES AS MCH RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2009-10-28 EP disclosed
EP-1828207-B1 THIAZOLOPYRIDINONE DERIVATES AS MCH RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2009-10-28 EP disclosed
US-20090233919-A1 THIAZOLOPYRIDINONE DERIVATES AS MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-09-17 US disclosed
US-20090233919-A1 THIAZOLOPYRIDINONE DERIVATES AS MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-09-17 US disclosed
EP-1828207-A1 THIAZOLOPYRIDINONE DERIVATES AS MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-09-05 EP disclosed
WO-2006066174-A1 THIAZOLOPYRIDINONE DERIVATES AS MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-06-22 WO 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-20090233919-A1 THIAZOLOPYRIDINONE DERIVATES AS MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R ALDH1A1 668/4885GAA 1552/4885PTGS2 4086/4885

“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.