SCHEMBL6806849

SCHEMBL6806849

NC(=O)c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.64
MAPK1 P28482 2/20 0.64
CES2 O00748 2/20 0.51
ALDH1A1 P00352 1/20 0.51
BCL2L1 Q07817 1/20 0.50
CDC25B P30305 1/20 0.49
CES1 P23141 1/20 0.49
PARP1 P09874 1/20 0.49
LMNA P02545 3/20 0.49
GAA P10253 1/20 0.49
KDM4E B2RXH2 2/20 0.48
GLA P06280 1/20 0.48
HPSE Q9Y251 1/20 0.47
POLB P06746 1/20 0.46
CASP6 P55212 1/20 0.46
PKM P14618 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL9196396 0.88 MAPK1 (0.68) VCAM1MAPK1CES2ALDH1A1BCL2L1
SCHEMBL27946265 0.88 PARP1 (0.56) VCAM1MAPK1CES2ALDH1A1BCL2L1
SCHEMBL2433562 0.84 CASP6 (0.66) PARP1LMNAPOLBCASP6
SCHEMBL8349696 0.84 PARP1 (0.67) ALDH1A1PARP1LMNAGAAPOLB
SCHEMBL11014183 0.82 MAPK1 (0.73) VCAM1MAPK1CES2ALDH1A1CDC25B
SCHEMBL144666 0.81 MAPK1 (0.77) VCAM1MAPK1CES2ALDH1A1CES1
SCHEMBL6806851 0.81 MAPK1 (0.77) VCAM1MAPK1CES2ALDH1A1CES1
SCHEMBL27605479 0.81 CASP6 (0.62) VCAM1MAPK1CES2ALDH1A1CDC25B
Carbamic Acid SCHEMBL28096989 0.81 MAPK1 (0.62) VCAM1MAPK1CES2ALDH1A1CDC25B
Carbamic Acid SCHEMBL28101135 0.81 MAPK1 (0.62) VCAM1MAPK1CES2ALDH1A1CES1

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 VCAM1 5/4885MAPK1 783/4885CES2 2486/4885

“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.