SCHEMBL13745482

SCHEMBL13745482

COc1cccc(Nc2nc(C)c([N+](=O)[O-])c(Nc3cccc(OC)c3)n2)c1

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.75
MAPT P10636 8/20 0.63
MEN1 O00255 6/20 0.63
KMT2A Q03164 6/20 0.63
HTT P42858 2/20 0.63
ALDH1A1 P00352 2/20 0.63
L3MBTL1 Q9Y468 3/20 0.62
MAPK1 P28482 2/20 0.60
BLM P54132 2/20 0.60
RECQL P46063 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.57
POLB P06746 1/20 0.54
LMNA P02545 1/20 0.53
SYK P43405 1/20 0.52
ABCG2 Q9UNQ0 3/20 0.50

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
SCHEMBL7147598 0.82 MAPT (0.79) TDP1MAPTMEN1KMT2AHTT
SCHEMBL8901888 0.76 ABCG2 (0.76) ABCG2
Hydrochloric Acid SCHEMBL8899114 0.75 ABCG2 (0.75) ABCG2
SCHEMBL5409656 0.74 SYK (0.59) MAPTMEN1KMT2AL3MBTL1MAPK1
SCHEMBL19129462 0.72 ABCG2 (0.67) MAPTSMN1; SMN2LMNAABCG2
SCHEMBL4544763 0.72 KCNH3 (0.67) MAPTMEN1KMT2AHTTMAPK1
SCHEMBL4544822 0.72 KCNH3 (0.67) MAPTMEN1KMT2AHTTMAPK1
SCHEMBL6797660 0.72 JAK2 (0.62) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL4544861 0.72 KCNH3 (0.70) MAPTMEN1KMT2AHTTMAPK1
SCHEMBL4544834 0.72 KCNH3 (0.70) MAPTMEN1KMT2AHTTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9771331-B2 Methods of identifying neuroprotective compounds for retinal ganglion cells THE JOHNS HOPKINS UNIVERSITY (US) 2017-09-26 US disclosed
US-20090215765-A1 Neuroprotective compounds for treating optic neuropathies THE JOHNS HOPKINS UNIVERSITY (US) 2009-08-27 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-20090215765-A1 Neuroprotective compounds for treating optic neuropathies NLN, GAP43, AIFM1 TDP1 1283/4885MAPT 561/4885MEN1 3432/4885

“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.