SCHEMBL5759570

SCHEMBL5759570

COc1ccc(-n2cnc(-c3ccc(OC)cc3OCc3ccccc3)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 5/20 0.51
TLR7 Q9NYK1 4/20 0.51
SYK P43405 1/20 0.46
MAOB P27338 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
ABCB1 P08183 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
BRD4 O60885 1/20 0.43
HDAC8 Q9BY41 1/20 0.42

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
SCHEMBL20805183 0.88 GRM5 (0.45) TLR9TLR7MAOBBRD4
SCHEMBL5757160 0.81 CYP1A2 (0.49) MAOB
SCHEMBL6452344 0.77 TLR9 (0.51) TLR9TLR7SYKMAOBCYP11B1
SCHEMBL27647848 0.76 NPC1 (0.65) MAOB
SCHEMBL5758416 0.75 TLR9 (0.44) TLR9TLR7
SCHEMBL22498619 0.73 TLR9 (0.46) TLR9TLR7L3MBTL1BRD4HDAC8
SCHEMBL22520499 0.73 TLR9 (0.48) TLR9TLR7MAOBBRD4
SCHEMBL12772071 0.72 MAOB (0.62) MAOBABCB1HTR1ADRD2HDAC8
SCHEMBL13791570 0.72 MAOB (0.62) MAOBABCB1L3MBTL1HTR1ADRD2
SCHEMBL1179955 0.72 CYP1A2 (0.55) MAOB

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
EP-1194144-B1 ANTIBACTERIAL COMPOUNDS AFFINIUM PHARM INC (CA) 2006-11-02 EP claimed
US-20030149089-A1 Antibacterial compounds SMITHKLINE BEECHAM CORPORATION 2003-08-07 US claimed
EP-1194144-B1 ANTIBACTERIAL COMPOUNDS AFFINIUM PHARM INC (CA) 2006-11-02 EP 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-20030149089-A1 Antibacterial compounds MRPL21, MRPS28, SPOUT1 TLR9 568/4885TLR7 190/4885SYK 4072/4885

“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.