SCHEMBL4829619

SCHEMBL4829619

CN(C)CCCN(C)c1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(NC(=O)c3ccnc(N4CCOCC4)c3)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.51
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
AURKA O14965 1/20 0.44
RPS6KB1 P23443 1/20 0.44
MAPK13 O15264 1/20 0.43
RAF1 P04049 1/20 0.42
BRAF P15056 1/20 0.42

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
SCHEMBL4831641 0.91 MAPK14 (0.60) MAPK14MAPK13RAF1BRAF
SCHEMBL4831365 0.90 MAPK14 (0.52) MAPK14AURKARPS6KB1MAPK13RAF1
SCHEMBL4831618 0.84 MAPK14 (0.54) MAPK14RAF1BRAF
SCHEMBL4827646 0.82 NPC1 (0.54) MAPK14NPC1RAB9AALDH1A1LMNA
SCHEMBL4829504 0.81 MAPK14 (0.61) MAPK14MAPK13RAF1BRAF
SCHEMBL4827754 0.80 MAPK14 (0.54) MAPK14NPC1RAB9AALDH1A1LMNA
SCHEMBL28749314 0.80 SLC6A3 (0.43)
SCHEMBL6979195 0.80 MAPK14 (0.63) MAPK14ALDH1A1LMNAMAPTHTT
SCHEMBL4833606 0.79 MAPK14 (0.58) MAPK14MAPK13RAF1BRAF
SCHEMBL4829474 0.78 MAPK14 (0.55) MAPK14AURKARPS6KB1MAPK13RAF1

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 6 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
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 (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-20060281734-A1 Amide derivatives IL6, IL6ST, IL1B MAPK14 2834/4885NPC1 823/4885RAB9A 2051/4885

“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.