SCHEMBL5865476

SCHEMBL5865476

CC(C)(C)OC(=O)N(CCC=O)c1cc(OCc2ccccc2)c2ncccc2c1I

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.34
F2 P00734 2/20 0.33
SLC40A1 Q9NP59 1/20 0.33
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TLR9 Q9NR96 2/20 0.32
TLR7 Q9NYK1 2/20 0.32
BRD4 O60885 1/20 0.32
PPIA P62937 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LTB4R Q15722 2/20 0.32
LTB4R2 Q9NPC1 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MCL1 Q07820 1/20 0.32

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
SCHEMBL5865390 0.86 TLR9 (0.33) L3MBTL1F2SLC40A1MAPTTLR9
SCHEMBL5865337 0.85 TLR9 (0.33) L3MBTL1F2SLC40A1SMN1; SMN2TLR9
SCHEMBL5865339 0.85 TLR9 (0.33) L3MBTL1F2SLC40A1SMN1; SMN2TLR9
SCHEMBL5864958 0.84 TLR9 (0.33) L3MBTL1F2SLC40A1MAPTSMN1; SMN2
SCHEMBL5864960 0.84 TLR9 (0.33) L3MBTL1F2SLC40A1MAPTSMN1; SMN2
SCHEMBL7945551 0.84 L3MBTL1 (0.38) L3MBTL1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL6618750 0.78 L3MBTL1 (0.42) L3MBTL1KDM4EALDH1A1LTB4RLTB4R2
SCHEMBL7953762 0.76 L3MBTL1 (0.38) L3MBTL1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL6324123 0.75 L3MBTL1 (0.40) L3MBTL1TLR9TLR7KDM4EALDH1A1
SCHEMBL7959273 0.75 L3MBTL1 (0.35) L3MBTL1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7064117-B2 Anti-cancer 2,3-dihydro-1H-pyrrolo[3,2-f]quinoline complexes of cobalt and chromium AUCKLAND UNISERVICES LIMITED (NZ) 2006-06-20 US disclosed
US-20050038249-A1 Anti-cancer 2,3-dihydro-1H-pyrrole[3,2-f] quinoline compolexes of cobalt and chromium AUCKLAND UNISERVICES LIMITED (NZ) 2005-02-17 US disclosed
US-20040138195-A1 Anti-cancer 2,3-dihydro-1h-pyrrolo[3,2-f[quinoline complexes of cobalt and chromium AUCKLAND UNISERVICES LIMITED (NZ) 2004-07-15 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 (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-20040138195-A1 Anti-cancer 2,3-dihydro-1h-pyrrolo[3,2-f[quinoline complexes of cobalt and chromium IDH1, HIF1AN, CA2 L3MBTL1 3659/4885F2 815/4885SLC40A1 786/4885
US-20050038249-A1 Anti-cancer 2,3-dihydro-1H-pyrrole[3,2-f] quinoline compolexes of cobalt and chromium CA2, HIF1AN, PPOX L3MBTL1 3742/4885F2 953/4885SLC40A1 977/4885

“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.