SCHEMBL5865339

SCHEMBL5865339

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 2/20 0.33
TLR7 Q9NYK1 2/20 0.33
SLC40A1 Q9NP59 1/20 0.33
KDM4E B2RXH2 3/20 0.32
CYP2C9 P11712 1/20 0.32
PTGER1 P34995 1/20 0.32
RAF1 P04049 1/20 0.32
MAP2K1 Q02750 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GAA P10253 1/20 0.32
BRD4 O60885 1/20 0.32
PPIA P62937 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
LMNA P02545 1/20 0.32
THRB P10828 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
F2 P00734 1/20 0.31
LRRK2 Q5S007 1/20 0.31

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
SCHEMBL5865337 1.00 TLR9 (0.33) TLR9TLR7SLC40A1KDM4ECYP2C9
SCHEMBL5864960 0.90 TLR9 (0.33) TLR9TLR7SLC40A1KDM4ERAF1
SCHEMBL5864958 0.90 TLR9 (0.33) TLR9TLR7SLC40A1KDM4ERAF1
SCHEMBL12154966 0.89 L3MBTL1 (0.34) TLR9TLR7KDM4ECYP2C9PTGER1
SCHEMBL5865476 0.85 L3MBTL1 (0.34) TLR9TLR7SLC40A1KDM4ESMN1; SMN2
SCHEMBL15286185 0.84 NPSR1 (0.36) TLR9TLR7CYP2C9PTGER1SMN1; SMN2
SCHEMBL5865390 0.82 TLR9 (0.33) TLR9TLR7SLC40A1RAF1MAP2K1
SCHEMBL13311249 0.81 L3MBTL1 (0.37) TLR9TLR7CYP2C9PTGER1SMN1; SMN2
SCHEMBL12154963 0.81 L3MBTL1 (0.34) TLR9TLR7KDM4ECYP2C9PTGER1
SCHEMBL1734374 0.79 FFAR1 (0.37) KDM4EPTGER1SMN1; SMN2ALDH1A1LMNA

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 TLR9 4611/4885TLR7 3218/4885SLC40A1 786/4885
US-20050038249-A1 Anti-cancer 2,3-dihydro-1H-pyrrole[3,2-f] quinoline compolexes of cobalt and chromium CA2, HIF1AN, PPOX TLR9 4259/4885TLR7 2883/4885SLC40A1 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.