SCHEMBL6476528

SCHEMBL6476528

CNC(=O)c1cc([N+](=O)[O-])n(C)n1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.38
MALT1 Q9UDY8 3/20 0.37
BRD4 O60885 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
CYP1A2 P05177 2/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
RXFP1 Q9HBX9 1/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PKM P14618 1/20 0.35
KDM4E B2RXH2 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL15813423 0.86 BAZ2B (0.41) BAZ2BL3MBTL1CYP1A2KMT2AKDM4E
SCHEMBL15814352 0.81 L3MBTL1 (0.37) BAZ2BL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL610407 0.81 SMN1; SMN2 (0.39) BAZ2BMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL21961420 0.80 BRD4 (0.46) BAZ2BMALT1BRD4NFKB1NFKB2
SCHEMBL6611836 0.80 PLA2G10 (0.43) BAZ2BL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL6303789 0.77 KMT2A (0.41) BAZ2BL3MBTL1MALT1MEN1KMT2A
SCHEMBL21961362 0.77 BAZ2B (0.40) BAZ2BL3MBTL1MALT1BRD4MEN1
SCHEMBL15813564 0.76 ALDH1A1 (0.35) BAZ2BL3MBTL1CYP1A2ALDH1A1
SCHEMBL21960888 0.76 BAZ2B (0.39) BAZ2BBRD4MEN1KMT2ARXFP1
SCHEMBL21964580 0.76 BRD4 (0.40) BAZ2BL3MBTL1MALT1BRD4MEN1

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-6878709-B2 3,4-di-substituted pyridazinediones as CXC chemokine receptor antagonists SCHERING CORPORATION (US) 2005-04-12 US disclosed
US-20040063709-A1 3,4-di-substituted pyridazinediones as CXC chemokine receptor antagonists SCHERING CORPORATION 2004-04-01 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-20040063709-A1 3,4-di-substituted pyridazinediones as CXC chemokine receptor antagonists CXCR1, CCR1, ACKR3 BAZ2B 1081/4885L3MBTL1 4067/4885MALT1 509/4885

“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.