SCHEMBL2203157

SCHEMBL2203157

CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNNC(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
EP300 Q09472 10/20 0.49
KAT8 Q9H7Z6 1/20 0.49
RAB9A P51151 3/20 0.49
ALDH1A1 P00352 3/20 0.49
POLB P06746 3/20 0.49
MAPT P10636 2/20 0.49
NPC1 O15118 1/20 0.49
CASP6 P55212 1/20 0.49
ATM Q13315 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CREBBP Q92793 1/20 0.42
KDM4E B2RXH2 2/20 0.40

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
SCHEMBL12430724 0.93 KMT2A (0.44) MEN1KMT2AEP300KAT8RAB9A
SCHEMBL12430708 0.92 KMT2A (0.44) MEN1KMT2AEP300KAT8RAB9A
SCHEMBL12510448 0.91 EP300 (0.51) MEN1KMT2AEP300KAT8RAB9A
SCHEMBL14629554 0.89 EP300 (0.52) MEN1KMT2AEP300KAT8RAB9A
SCHEMBL14629657 0.88 MEN1 (0.46) MEN1KMT2AEP300KAT8RAB9A
SCHEMBL14599447 0.82 KMT2A (0.47) MEN1KMT2AEP300KAT8ALDH1A1
SCHEMBL12104760 0.82 ALDH1A1 (0.47) MEN1KMT2AEP300KAT8RAB9A
SCHEMBL14599446 0.80 EP300 (0.43) MEN1KMT2AEP300KAT8RAB9A
SCHEMBL12104815 0.80 ALDH1A1 (0.43) MEN1KMT2AEP300KAT8RAB9A
SCHEMBL1303696 0.80 ALDH1A1 (0.43) MEN1KMT2AEP300KAT8RAB9A

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-7977366-B2 Treating an inflammatory disorder or inhibiting respiratory burst in adherent neutrophils with chemical inhibitors of neutrophil activation CORNELL RESEARCH FOUNDATION, INC. (US) 2011-07-12 US disclosed
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 MEN1 4710/4885KMT2A 4421/4885EP300 1342/4885

“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.