SCHEMBL4238971

SCHEMBL4238971

COc1cc(CC(C)(C)OC(N)=O)ccc1Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.48
MAPT P10636 5/20 0.47
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 4/20 0.45
LMNA P02545 3/20 0.45
TDP2 O95551 1/20 0.44
KCNH2 Q12809 1/20 0.44
MAPK1 P28482 1/20 0.44
MMP1 P03956 1/20 0.43
TBXA2R P21731 1/20 0.42
CYP19A1 P11511 1/20 0.42
PTGS2 P35354 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42

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
SCHEMBL4233545 0.97 TDP2 (0.47) TTRMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL4234229 0.94 TTR (0.48) TTRMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL4232035 0.90 MAPT (0.46) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL4238047 0.89 TBXA2R (0.48) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL4240320 0.88 ALDH1A1 (0.42) MAPTKMT2AMEN1ALDH1A1TBXA2R
SCHEMBL4237322 0.88 TTR (0.52) TTRMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL4237809 0.87 PDE7A (0.54) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL4237489 0.87 TBXA2R (0.41) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL4227934 0.87 HSPB1 (0.53) MAPTKMT2AMEN1ALDH1A1TDP2
SCHEMBL4237866 0.87 MAOB (0.40) MAPTKMT2AMEN1ALDH1A1TDP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233910-A1 Npy antagonists, preparation and uses CEREP (FR) 2009-09-17 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-20090233910-A1 Npy antagonists, preparation and uses NPY1R, NPY5R, NPY2R TTR 2137/4885MAPT 1398/4885KMT2A 3436/4885

“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.