SCHEMBL6801880

SCHEMBL6801880

N[N+](=O)c1ccc(Nc2cc[c]cc2)c([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.59
▸ MEN1 O00255 8/20 0.59
▸ KMT2A Q03164 8/20 0.59
▸ MAPK1 P28482 5/20 0.59
▸ TDP1 Q9NUW8 5/20 0.52
▸ L3MBTL1 Q9Y468 3/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ POLB P06746 2/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ LMNA P02545 3/20 0.47
▸ HCAR3 P49019 1/20 0.45
▸ GFER P55789 3/20 0.44
▸ CASP7 P55210 1/20 0.43
▸ ATM Q13315 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ HTT P42858 1/20 0.41
▸ WNK1 Q9H4A3 1/20 0.41

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
SCHEMBL5879472 0.90 MEN1 (0.68) MAPTMEN1KMT2AMAPK1TDP1
SCHEMBL16486952 0.79 L3MBTL1 (0.73) MAPTMEN1KMT2AMAPK1TDP1
SCHEMBL31098648 0.77 MEN1 (0.82) MAPTMEN1KMT2AMAPK1TDP1
SCHEMBL14359092 0.77 MAPT (0.73) MAPTMEN1KMT2AMAPK1TDP1
SCHEMBL11696466 0.76 TDP1 (0.56) MAPTMEN1KMT2AMAPK1TDP1
SCHEMBL8353349 0.75 MEN1 (1.00) MAPTMEN1KMT2AMAPK1TDP1
SCHEMBL6002470 0.75 MAPT (0.73) MAPTMEN1KMT2AMAPK1TDP1
SCHEMBL243259 0.75 MEN1 (1.00) MAPTMEN1KMT2AMAPK1TDP1
SCHEMBL293916 0.74 MAPT (0.72) MAPTMEN1KMT2AMAPK1TDP1
Water SCHEMBL22157648 0.72 MEN1 (0.69) MAPTMEN1KMT2AMAPK1TDP1

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-20040002521-A1 Cyclopropanecarboxylic acid amide compound and pharmaceutical use thereof AJINOMOTO CO. INC 2004-01-01 — — US claimed
US-20040002521-A1 Cyclopropanecarboxylic acid amide compound and pharmaceutical use thereof AJINOMOTO CO. INC 2004-01-01 — — 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-20040002521-A1 Cyclopropanecarboxylic acid amide compound and pharmaceutical use thereof NFKBIA, IKBKB, CHUK MAPT 1447/4885MEN1 4653/4885KMT2A 3368/4885

“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.

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