SCHEMBL4387499

SCHEMBL4387499

COc1cccc(N)c1Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.53
ALDH1A1 P00352 3/20 0.51
TDP1 Q9NUW8 1/20 0.51
HSPB1 P04792 2/20 0.47
MAPT P10636 4/20 0.47
RECQL P46063 1/20 0.47
DUSP3 P51452 1/20 0.47
PTPN5 P54829 1/20 0.47
PTPN11 Q06124 1/20 0.47
LMNA P02545 2/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
APP P05067 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 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
SCHEMBL8964023 0.81 ALDH1A1 (0.54) ALDH1A1TDP1HSPB1MAPTLMNA
SCHEMBL8964199 0.80 ALDH1A1 (0.53) HTTALDH1A1HSPB1MAPTLMNA
SCHEMBL8964192 0.80 ALDH1A1 (0.50) HTTALDH1A1HSPB1MAPTLMNA
SCHEMBL5082634 0.79 ALDH1A1 (0.66) HTTALDH1A1TDP1HSPB1MAPT
SCHEMBL8104896 0.79 HSPB1 (0.56) HTTALDH1A1HSPB1MAPTLMNA
SCHEMBL22588357 0.78 ALDH1A1 (0.55) HTTALDH1A1TDP1MAPTLMNA
SCHEMBL11721323 0.77 HSPB1 (0.54) HTTALDH1A1HSPB1MAPTLMNA
SCHEMBL8875765 0.75 ALDH1A1 (0.48) ALDH1A1MAPTLMNAHPGDSMN1; SMN2
SCHEMBL8875762 0.75 ALDH1A1 (0.48) ALDH1A1MAPTLMNAHPGDSMN1; SMN2
SCHEMBL30712041 0.74 ALDH1A1 (0.50) HTTALDH1A1TDP1MAPTLMNA

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 HTT 618/4885ALDH1A1 4542/4885TDP1 2128/4885

“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.