SCHEMBL4829614

SCHEMBL4829614

Cc1ccc(N)cc1NC(=O)c1cc(N2CCN(C)CC2)ccc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 5/20 0.48
HDAC8 Q9BY41 1/20 0.48
SIRT6 Q8N6T7 3/20 0.47
GAA P10253 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPK1 P28482 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
HDAC2 Q92769 3/20 0.45
MAPT P10636 3/20 0.45
KDM4E B2RXH2 2/20 0.45
PTK2B Q14289 2/20 0.45
HTT P42858 1/20 0.45
RECQL P46063 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C18 P33260 1/20 0.45
CYP2C19 P33261 1/20 0.45
KCNH2 Q12809 1/20 0.45

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
SCHEMBL4831385 0.96 MEN1 (0.47) HDAC3HDAC8SIRT6GAAKMT2A
SCHEMBL4833080 0.84 MAPT (0.48) GAAKMT2AMAPK1ALDH1A1MEN1
SCHEMBL1140095 0.81 MAPK14 (0.52) HDAC3HDAC8RAB9ANPC1
SCHEMBL1558664 0.79 MAPT (0.55) HDAC3HDAC8SIRT6GAAKMT2A
SCHEMBL4831425 0.79 MAPK1 (0.53) GAAKMT2AMAPK1ALDH1A1MEN1
SCHEMBL4824126 0.78 SIRT6 (0.65) SIRT6GAAKMT2AALDH1A1MEN1
SCHEMBL7822467 0.75 BRAF (0.54)
SCHEMBL1140120 0.75 MAPK14 (0.55) HDAC3HDAC8RAB9ANPC1
SCHEMBL1140262 0.75 WDR5 (0.45) KMT2AALDH1A1MEN1NPC1MAPT
SCHEMBL10739901 0.75 MAPT (0.59) HDAC3HDAC8SIRT6GAAKMT2A

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 11 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
CN-101001845-A Substituted quinazolones as anti-cancer agents. ASTRAZENECA AB (SE) 2007-07-18 CN 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 HDAC3 51/4885HDAC8 1398/4885SIRT6 336/4885
US-20060281734-A1 Amide derivatives IL6, IL6ST, IL1B HDAC3 51/4885HDAC8 1398/4885SIRT6 336/4885

“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.