SCHEMBL14629554

SCHEMBL14629554

CC1=NN(c2ccccc2)C(=O)/C1=C\NNC(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 2/20 0.52
KAT8 Q9H7Z6 2/20 0.52
ALDH1A1 P00352 6/20 0.48
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48
KMT2A Q03164 7/20 0.45
KDM4E B2RXH2 7/20 0.45
MAPT P10636 6/20 0.45
MEN1 O00255 5/20 0.45
LMNA P02545 4/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
HPGD P15428 3/20 0.45
TDP1 Q9NUW8 3/20 0.45
MAPK1 P28482 3/20 0.45
POLB P06746 3/20 0.45
HTT P42858 2/20 0.45
RAB9A P51151 1/20 0.44
HSP90AA1 P07900 1/20 0.44
THRB P10828 1/20 0.43
SAE1 Q9UBE0 1/20 0.43

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
SCHEMBL12510448 0.95 EP300 (0.51) EP300KAT8ALDH1A1KEAP1NFE2L2
SCHEMBL14629657 0.91 MEN1 (0.46) EP300KAT8ALDH1A1KEAP1NFE2L2
SCHEMBL2203157 0.89 MEN1 (0.51) EP300KAT8ALDH1A1KMT2AKDM4E
SCHEMBL14599447 0.87 KMT2A (0.47) EP300KAT8ALDH1A1KMT2AKDM4E
SCHEMBL14599446 0.82 EP300 (0.43) EP300KAT8ALDH1A1KMT2AKDM4E
SCHEMBL12430709 0.82 EP300 (0.43) EP300KAT8ALDH1A1KMT2AKDM4E
SCHEMBL12857602 0.81 KDM4E (0.53) EP300KAT8ALDH1A1KMT2AKDM4E
SCHEMBL14599442 0.81 LMNA (0.49) ALDH1A1KMT2AKDM4EMAPTMEN1
SCHEMBL12430724 0.81 KMT2A (0.44) EP300KAT8ALDH1A1KMT2AKDM4E
SCHEMBL12430708 0.81 KMT2A (0.44) EP300KAT8ALDH1A1KMT2AKDM4E

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-20070021448-A1 Treating an inflammatory disorder or inhibiting respiratory burst in adherent neutrophils with chemical inhibitors of neutrophil activation NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-01-25 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-20070021448-A1 Treating an inflammatory disorder or inhibiting respiratory burst in adherent neutrophils with chemical inhibitors of neutrophil activation MPO, MMP8, SERPINB1 EP300 1342/4885KAT8 3238/4885ALDH1A1 705/4885

“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.