SCHEMBL5758416

SCHEMBL5758416

COc1ccc(-c2cn(Cc3ccc(Cl)cc3Cl)cn2)c(OCc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 5/20 0.44
TLR7 Q9NYK1 4/20 0.44
PTGER1 P34995 5/20 0.40
S1PR1 P21453 1/20 0.40
PRKX P51817 1/20 0.40
ACVR1 Q04771 1/20 0.40
S1PR5 Q9H228 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
F2RL3 Q96RI0 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
SCHEMBL5756846 0.85 MEN1 (0.42) S1PR1S1PR5
SCHEMBL5759570 0.75 TLR9 (0.51) TLR9TLR7
SCHEMBL6452344 0.71 TLR9 (0.51) TLR9TLR7
SCHEMBL5755079 0.68 NPC1 (0.60)
SCHEMBL20805183 0.68 GRM5 (0.45) TLR9TLR7
SCHEMBL5779644 0.66 MAOB (0.57)
SCHEMBL27563776 0.66 MAOB (0.57)
SCHEMBL4840104 0.66 HPGDS (0.58) SIGMAR1
SCHEMBL16319277 0.65 MAOB (0.56) PTGER1
SCHEMBL3712815 0.65 MAOB (0.55)

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 190/4885PTGER1 1238/4885

“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.