SCHEMBL4233545

SCHEMBL4233545

COc1ccc(CC(C)(C)OC(N)=O)cc1Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.47
MAPT P10636 6/20 0.45
KMT2A Q03164 6/20 0.45
MEN1 O00255 5/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TTR P02766 1/20 0.44
ALDH1A1 P00352 5/20 0.43
LMNA P02545 3/20 0.43
TBXA2R P21731 1/20 0.43
KCNH2 Q12809 1/20 0.42
MAPK1 P28482 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
HTT P42858 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
SCHEMBL4238971 0.97 TTR (0.48) TDP2MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL4234229 0.90 TTR (0.48) MAPTKMT2AMEN1SMN1; SMN2TTR
SCHEMBL4240320 0.89 ALDH1A1 (0.42) MAPTKMT2AMEN1ALDH1A1TBXA2R
SCHEMBL4232035 0.89 MAPT (0.46) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL4237809 0.88 PDE7A (0.54) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL4237489 0.88 TBXA2R (0.41) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL4227934 0.88 HSPB1 (0.53) TDP2MAPTKMT2AMEN1ALDH1A1
SCHEMBL4238047 0.88 TBXA2R (0.48) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL4237866 0.88 MAOB (0.40) TDP2MAPTKMT2AMEN1ALDH1A1
SCHEMBL4236941 0.86 HSPB1 (0.40) TDP2MAPTKMT2AMEN1ALDH1A1

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 TDP2 1999/4885MAPT 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.