SCHEMBL4829475

SCHEMBL4829475

O=C(Nc1ccc(F)c(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1)c1cc(F)cc(N2CCOCC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.48
MAPT P10636 5/20 0.48
HTT P42858 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
ALDH1A1 P00352 4/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
RAF1 P04049 1/20 0.47
BRAF P15056 1/20 0.47
RAC1 P63000 1/20 0.46
MAPK13 O15264 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK11 Q15759 1/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
HPGD P15428 2/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
LMNA P02545 2/20 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
SCHEMBL2979467 0.85 MAPT (0.50) MAPTHTTSMN1; SMN2ALDH1A1MEN1
SCHEMBL4831597 0.85 RAC1 (0.61) MAPK14MAPTHTTSMN1; SMN2ALDH1A1
SCHEMBL4831934 0.83 CSF1R (0.66) MAPK14RAF1BRAF
SCHEMBL4833285 0.82 MAPK14 (0.60) MAPK14RAF1BRAF
SCHEMBL4829487 0.79 RAF1 (0.60) MAPK14MAPTHTTSMN1; SMN2ALDH1A1
SCHEMBL27492717 0.77 SLC6A3 (0.47)
SCHEMBL4831818 0.77 HDAC3 (0.52) MAPK14RAF1BRAF
SCHEMBL7822905 0.76 MAPT (0.49) MAPTHTTSMN1; SMN2ALDH1A1MEN1
SCHEMBL2980235 0.76 SIRT6 (0.51) MAPTHTTSMN1; SMN2ALDH1A1MEN1
SCHEMBL4827772 0.75 MAPK14 (0.64) MAPK14RAF1BRAFMAPK13MAPK12

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 10 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
EP-1163237-B1 AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2004-05-06 EP 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 MAPK14 2834/4885MAPT 4431/4885HTT 2632/4885
US-20060281734-A1 Amide derivatives IL6, IL6ST, IL1B MAPK14 2834/4885MAPT 4431/4885HTT 2632/4885

“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.