SCHEMBL4823504

SCHEMBL4823504

Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(N2CCN(C)CC2)c1[N+](=O)[O-]

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 17/20 0.68
ALDH1A1 P00352 4/20 0.63
CYP2D6 P10635 1/20 0.63
KMT2A Q03164 2/20 0.61
MEN1 O00255 1/20 0.61
MAPT P10636 1/20 0.61
GAA P10253 1/20 0.59
POLB P06746 1/20 0.57
HTT P42858 1/20 0.55

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
SCHEMBL1140219 0.84 WDR5 (0.50) WDR5ALDH1A1CYP2D6KMT2AMEN1
SCHEMBL4824126 0.79 SIRT6 (0.65) WDR5ALDH1A1CYP2D6KMT2AMEN1
SCHEMBL4831177 0.79 TNF (0.64) WDR5ALDH1A1CYP2D6KMT2AMEN1
SCHEMBL20214038 0.78 WDR5 (1.00) WDR5ALDH1A1CYP2D6KMT2AMEN1
SCHEMBL8829646 0.77 ALDH1A1 (0.55) WDR5ALDH1A1CYP2D6KMT2AMEN1
SCHEMBL6978611 0.77 MAPK14 (0.59)
SCHEMBL27763626 0.77 ALDH1A1 (0.52) WDR5ALDH1A1CYP2D6KMT2AMEN1
SCHEMBL4832961 0.76 SIRT6 (0.61) WDR5ALDH1A1CYP2D6KMT2AMEN1
SCHEMBL4831687 0.75 HPGDS (0.54) WDR5ALDH1A1KMT2AMEN1MAPT
SCHEMBL20213949 0.75 WDR5 (1.00) WDR5ALDH1A1CYP2D6KMT2AMAPT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442704-B2 Amide derivatives ASTRAZENECA AB (SE) 2008-10-28 US disclosed
US-7332483-B2 3-(5-benzamido-2-chlorophenyl)-7-methoxy-3,4-dihydroquinazolin-4-one;cytokines (tumor necrosis factor and interleukins) inhibitor; antiinflammatory agent, rheumatoid arthritis, osteoarthritis, psoriasis, chronic obstructive pulmonary disease ASTRAZENECA AB (SE) 2008-02-19 US disclosed
US-20060281734-A1 Amide derivatives BROWN DEARG S 2006-12-14 US disclosed
US-7008945-B1 Amide derivatives ASTRAZENECA AB (SE) 2006-03-07 US disclosed
US-20050245551-A1 Amide derivatives ASTRAZENECA AB 2005-11-03 US disclosed
CN-1178932-C Amide derivatives 2004-12-08 CN disclosed
CN-1350530-A Amide derivatives ASTRAZENECA AB (SE) 2002-05-22 CN disclosed
EP-1163237-A1 AMIDE DERIVATIVES AstraZeneca AB (SE) 2001-12-19 EP disclosed
WO-2000055153-A1 AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2000-09-21 WO 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 (2 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-20050245551-A1 Amide derivatives IL6, IL6ST, IL1B WDR5 4637/4885ALDH1A1 269/4885CYP2D6 35/4885
US-20060281734-A1 Amide derivatives IL6, IL6ST, IL1B WDR5 4637/4885ALDH1A1 269/4885CYP2D6 35/4885

“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.