SCHEMBL4827754

SCHEMBL4827754

CN1CCN(c2ccc([N+](=O)[O-])c(C(=O)Nc3cccc(NC(=O)c4ccnc(N5CCOCC5)c4)c3)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.54
SIRT6 Q8N6T7 4/20 0.54
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
MAPT P10636 3/20 0.52
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPK13 O15264 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
SCHEMBL4827771 0.90 MAPK14 (0.60) MAPK14SIRT6
SCHEMBL4831994 0.89 MAPK14 (0.57) MAPK14MAPK13
SCHEMBL4827646 0.86 NPC1 (0.54) MAPK14NPC1RAB9AMAPTLMNA
SCHEMBL6401762 0.82 SIRT6 (0.54) SIRT6NPC1RAB9AMAPTLMNA
SCHEMBL27492359 0.81 SIRT6 (0.49) SIRT6
SCHEMBL4829619 0.80 MAPK14 (0.51) MAPK14NPC1RAB9AMAPTLMNA
SCHEMBL4833935 0.79 NPC1 (0.61) MAPK14NPC1RAB9AMAPTLMNA
SCHEMBL4831590 0.79 MAPK14 (0.63) MAPK14
SCHEMBL28676274 0.78 SIRT6 (0.83) SIRT6NPC1RAB9AMAPTPOLB
SCHEMBL31524049 0.78 MAPK14 (0.65) MAPK14NPC1RAB9AMAPK13

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 MAPK14 2834/4885SIRT6 336/4885NPC1 823/4885
US-20060281734-A1 Amide derivatives IL6, IL6ST, IL1B MAPK14 2834/4885SIRT6 336/4885NPC1 823/4885

“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.