SCHEMBL13499705

SCHEMBL13499705

Cc1ccc(CC(=O)NCCNC(=O)OC(C)(C)C)c(N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
CA1 P00915 7/20 0.41
CA2 P00918 7/20 0.41
ALDH1A1 P00352 2/20 0.40
IDO1 P14902 2/20 0.40
NQO2 P16083 1/20 0.40
CA12 O43570 3/20 0.39
CA9 Q16790 3/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
BRD4 O60885 1/20 0.39
MALT1 Q9UDY8 1/20 0.39
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL13427146 0.81 CYP2C19 (0.45) LMNAHTTALDH1A1IDO1MAPT
SCHEMBL14679418 0.79 HPGD (0.57) LMNACA1CA2ALDH1A1MAPT
SCHEMBL16410216 0.78 MTNR1A (0.44) ALDH1A1TDP1TP53SMN1; SMN2L3MBTL1
SCHEMBL14679447 0.77 POLB (0.53) ALDH1A1IDO1NQO2MAPTTP53
SCHEMBL30262248 0.75 NPC1 (0.48) LMNAHTTALDH1A1IDO1NQO2
SCHEMBL21648040 0.75 BRD4 (0.50) CA1CA2ALDH1A1CA12CA9
SCHEMBL15171404 0.74 NPC1 (0.52) ALDH1A1SMN1; SMN2L3MBTL1POLB
SCHEMBL14679377 0.74 HPGD (0.62) LMNACA1CA2ALDH1A1CCNC
SCHEMBL15284607 0.74 NQO2 (0.48) CA1CA2IDO1NQO2CA12
SCHEMBL27669339 0.74 KDM4A (0.43) LMNAHTTCA1CA2IDO1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7655642-B2 e.g. 7-bromo-23-methoxy-12-oxo-10,11,12,13,14,15,16,17,18,19-decahydro-5H-1,21-(ethanediylidene)pyrido[4,3-b][6,1,10,13]benzoxatriazacyclooctadecine-4-carbonitrile; tyrosine kinase, angiogenesis inhibitor; growth factors (epidermal, fibroblast, platelet, endothelial) antagonist; antiproliferative agent JANSSEN PHARMACEUTICA N.V. (BE) 2010-02-02 US disclosed
US-20080139601-A1 e.g. 7-bromo-23-methoxy-12-oxo-10,11,12,13,14,15,16,17,18,19-decahydro-5H-1,21-(ethanediylidene)pyrido[4,3-b][6,1,10,13]benzoxatriazacyclooctadecine-4-carbonitrile; tyrosine kinase, angiogenesis inhibitor; growth factors (epidermal, fibroblast, platelet, endothelial) antagonist; antiproliferative agent JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-12 US 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-20080139601-A1 e.g. 7-bromo-23-methoxy-12-oxo-10,11,12,13,14,15,16,17,18,19-decahydro-5H-1,21-(ethanediylidene)pyrido[4,3-b][6,1,10,13]benzoxatriazacyclooctadecine-4-carbonitrile; tyrosine kinase, angiogenesis inhibitor; growth factors (epidermal, fibroblast, platelet, endothelial) antagonist; antiproliferative agent KDR, PDGFRB, NR1H2 LMNA 3953/4885HTT 3981/4885CA1 4264/4885

“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.