SCHEMBL6806845

SCHEMBL6806845

N[N+](=O)c1[c]ccc(C(=O)c2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.48
ATM Q13315 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PBRM1 Q86U86 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MAPK1 P28482 2/20 0.44
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
VCAM1 P19320 1/20 0.41
SRD5A2 P31213 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
STS P08842 1/20 0.39
MAPT P10636 2/20 0.37
PTGS1 P23219 2/20 0.37
CXCR1 P25024 2/20 0.37
CXCR2 P25025 2/20 0.37
PTGS2 P35354 2/20 0.37

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
SCHEMBL9304339 0.84 MAPK1 (0.51) L3MBTL1ATMTDP1PBRM1ALDH1A1
SCHEMBL28988601 0.74 L3MBTL1 (0.57) L3MBTL1ATMTDP1PBRM1ALDH1A1
SCHEMBL1452138 0.74 L3MBTL1 (0.57) L3MBTL1ATMTDP1PBRM1ALDH1A1
SCHEMBL6815291 0.73 ALDH1A1 (0.39) L3MBTL1ATMTDP1PBRM1ALDH1A1
SCHEMBL3393204 0.73 L3MBTL1 (0.55) L3MBTL1ATMTDP1PBRM1ALDH1A1
SCHEMBL2920883 0.73 L3MBTL1 (0.55) L3MBTL1ATMTDP1PBRM1ALDH1A1
SCHEMBL2922626 0.73 L3MBTL1 (0.55) L3MBTL1ATMTDP1PBRM1ALDH1A1
SCHEMBL3894955 0.73 L3MBTL1 (0.55) L3MBTL1ATMTDP1PBRM1ALDH1A1
SCHEMBL9786573 0.71 L3MBTL1 (0.53) L3MBTL1ATMTDP1PBRM1ALDH1A1
SCHEMBL4110333 0.69 L3MBTL1 (0.50) L3MBTL1ATMTDP1PBRM1ALDH1A1

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 L3MBTL1 4620/4885ATM 4429/4885TDP1 3475/4885

“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.