SCHEMBL4833935

SCHEMBL4833935

O=C(Nc1cccc([N+](=O)[O-])c1)c1ccnc(N2CCOCC2)c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.61
RAB9A P51151 4/20 0.61
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
ALDH1A1 P00352 1/20 0.60
MAPK13 O15264 1/20 0.57
POLB P06746 3/20 0.57
MAPT P10636 4/20 0.57
BLM P54132 1/20 0.57
LMNA P02545 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MAPK14 Q16539 1/20 0.54
GAA P10253 1/20 0.53
PIK3CA P42336 1/20 0.53
SETD7 Q8WTS6 1/20 0.53
RAF1 P04049 1/20 0.52
BRAF P15056 1/20 0.52

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
SCHEMBL4833700 0.83 MAPK13 (0.61) NPC1RAB9AMAPK13MAPK14PIK3CA
SCHEMBL12763857 0.83 MAPK13 (0.61) NPC1RAB9AALDH1A1MAPK13MAPT
SCHEMBL4827646 0.82 NPC1 (0.54) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL7692421 0.82 MAPK13 (0.60) NPC1RAB9AMAPK13POLBMAPK14
SCHEMBL4832964 0.82 MAPK14 (0.65) NPC1RAB9AMAPK13MAPK14RAF1
SCHEMBL31524049 0.82 MAPK14 (0.65) NPC1RAB9AMAPK13MAPK14RAF1
SCHEMBL4827754 0.79 MAPK14 (0.54) NPC1RAB9AALDH1A1MAPK13POLB
SCHEMBL1517342 0.79 MAPK13 (0.54) NPC1RAB9AMAPK13MAPK14PIK3CA
SCHEMBL12774693 0.78 MAPK13 (0.51) NPC1RAB9AMAPK13MAPTMAPK14
SCHEMBL12764085 0.78 MAPK14 (0.69) MAPK13MAPK14RAF1BRAF

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 15 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-1158266-C Chemical compounds 2004-07-21 CN disclosed
US-6716847-B2 ANTIALLERGENS, ANTIINFLAMMATORY ASTRAZENECA AB (SE) 2004-04-06 US disclosed
US-20030216417-A1 Substituted anilino-quinoline compounds and use thereof ASTRAZENECA AB 2003-11-20 US disclosed
US-6593333-B1 Processes for their preparation, pharmaceutical compositions containing them and their use in the treatment of diseases or medical conditions mediated by cytokines. Tumour Necrosis Factor (hereinafter TNF), for example TNF alpha , and various ASTRAZENECA AB (SE) 2003-07-15 US disclosed
EP-1117653-B1 QUINOLINE AND QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS OF CYTOKINE MEDIATED DISEASES ASTRAZENECA AB (SE) 2003-02-05 EP disclosed
EP-1163237-A1 AMIDE DERIVATIVES AstraZeneca AB (SE) 2001-12-19 EP disclosed
CN-1321151-A Chemical compounds ASTRAZENECA AB (SE) 2001-11-07 CN disclosed
EP-1117653-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2001-07-25 EP disclosed
WO-2000055153-A1 AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2000-09-21 WO disclosed
WO-2000020402-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2000-04-13 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 (3 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 2051/4885MEN1 2386/4885
US-20060281734-A1 Amide derivatives IL6, IL6ST, IL1B NPC1 823/4885RAB9A 2051/4885MEN1 2386/4885
US-20030216417-A1 Substituted anilino-quinoline compounds and use thereof IL6, IL6ST, IL1A NPC1 348/4885RAB9A 839/4885MEN1 2006/4885

“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.