SCHEMBL4827646

SCHEMBL4827646

O=C(Nc1cccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1)c1ccnc(N2CCOCC2)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
MAPK14 Q16539 3/20 0.51
MAPK13 O15264 1/20 0.50
MAPT P10636 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
LMNA P02545 3/20 0.49
RAF1 P04049 3/20 0.48
BRAF P15056 3/20 0.48
ALDH1A1 P00352 2/20 0.48
PPARG P37231 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
AURKA O14965 1/20 0.48
RPS6KB1 P23443 1/20 0.48
GAA P10253 1/20 0.47

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
SCHEMBL4827772 0.89 MAPK14 (0.64) NPC1RAB9AMAPK14MAPK13RAF1
SCHEMBL4827754 0.86 MAPK14 (0.54) NPC1RAB9AMAPK14MAPK13MAPT
SCHEMBL4833935 0.82 NPC1 (0.61) NPC1RAB9AMAPK14MAPK13MAPT
SCHEMBL4829619 0.82 MAPK14 (0.51) NPC1RAB9AMAPK14MAPK13MAPT
SCHEMBL4832964 0.79 MAPK14 (0.65) NPC1RAB9AMAPK14MAPK13RAF1
SCHEMBL31524049 0.79 MAPK14 (0.65) NPC1RAB9AMAPK14MAPK13RAF1
SCHEMBL27475634 0.77 SLC6A3 (0.51)
SCHEMBL4827471 0.77 MAPK14 (0.60) NPC1RAB9AMAPK14RAF1BRAF
SCHEMBL4827771 0.76 MAPK14 (0.60) MAPK14RAF1BRAF
SCHEMBL12763857 0.76 MAPK13 (0.61) NPC1RAB9AMAPK14MAPK13MAPT

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 7 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
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 NPC1 823/4885RAB9A 2051/4885MAPK14 2834/4885
US-20060281734-A1 Amide derivatives IL6, IL6ST, IL1B NPC1 823/4885RAB9A 2051/4885MAPK14 2834/4885

“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.