SCHEMBL8260641

SCHEMBL8260641

CCOC(=O)C[n+]1ccc(-c2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
RAB9A P51151 1/20 0.52
ALDH1A1 P00352 4/20 0.48
MAPK1 P28482 1/20 0.48
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
GLO1 Q04760 1/20 0.47
HTT P42858 1/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
PPARG P37231 1/20 0.45
HPGD P15428 2/20 0.44
CACNA1F O60840 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
CACNA1D Q01668 1/20 0.44
CACNA1S Q13698 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
Bromide SCHEMBL5782120 0.99 MAPT (0.51) MAPTKMT2AMEN1RAB9AALDH1A1
SCHEMBL8970512 0.80 KMT2A (0.47) MAPTKMT2AMEN1ALDH1A1MAPK1
SCHEMBL8971555 0.78 KMT2A (0.48) MAPTKMT2AMEN1RAB9AALDH1A1
Bromide SCHEMBL9243928 0.78 ALDH1A1 (0.47) MAPTKMT2AMEN1ALDH1A1HTT
Iodide SCHEMBL26666896 0.78 ALDH1A1 (0.46) MAPTRAB9AALDH1A1LMNAPOLB
Iodide SCHEMBL30690005 0.78 ALDH1A1 (0.46) MAPTRAB9AALDH1A1LMNAPOLB
SCHEMBL5944038 0.77 MAPT (0.60) MAPTKMT2AMEN1RAB9AALDH1A1
Nitrobenzene SCHEMBL8971309 0.77 HPGD (0.48) MAPTKMT2ARAB9AALDH1A1MAPK1
Dinitrophenylene SCHEMBL27988648 0.73 MAPT (0.55) MAPTKMT2AMEN1ALDH1A1GLO1
Dinitrophenylene SCHEMBL27790604 0.73 GLO1 (0.55) MAPTKMT2AMEN1RAB9AALDH1A1

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-20040097570-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds NEUROSEARCH A/S 2004-05-20 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-20040097570-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 MAPT 906/4885KMT2A 1116/4885MEN1 4632/4885

“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.