SCHEMBL6716480

SCHEMBL6716480

O=COCc1nccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.42
CYP2A6 P11509 1/20 0.42
F12 P00748 1/20 0.42
NCF1 P14598 1/20 0.42
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
BACE1 P56817 1/20 0.42
RAB9A P51151 4/20 0.38
MAPT P10636 4/20 0.38
NPC1 O15118 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37

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
SCHEMBL28051781 0.84 ACHE (0.40) PLAUCYP2A6F12NCF1NOS3
SCHEMBL23886136 0.79 PLAU (0.47) PLAUCYP2A6F12NCF1NOS3
SCHEMBL4263924 0.77 CYP2A6 (0.50) PLAUCYP2A6F12NCF1NOS3
SCHEMBL13018765 0.77 PLAU (0.46) PLAUCYP2A6F12NCF1NOS3
SCHEMBL6716476 0.77 PLAU (0.42) PLAUCYP2A6F12NCF1NOS3
SCHEMBL10546269 0.76 KCNH2 (0.47) PLAUCYP2A6F12NCF1NOS3
SCHEMBL4268325 0.75 CYP2A6 (0.47) PLAUCYP2A6F12NCF1NOS3
SCHEMBL243297 0.74 PLAU (0.50) PLAUCYP2A6F12NCF1NOS3
SCHEMBL5060028 0.74 ALDH1A1 (0.46) PLAUCYP2A6F12NCF1NOS3
SCHEMBL29099339 0.74 PLAU (0.44) PLAUCYP2A6F12NCF1NOS3

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-20040127433-A1 excellent antibacterial activity especially against a typical acid-fast mycobacteria including multiple drug-resistant bacteria HOKURIKU SEIYAKU CO., LTD. (JP) 2004-07-01 US disclosed
EP-1323726-A1 ERYTHROMYCIN DERIVATIVES AND MEDICINES CONTAINING THE SAME HOKURIKU SEIYAKU CO., LTD. (JP) 2003-07-02 EP disclosed
EP-1167375-A1 ERYTHROMYCIN DERIVATIVES HOKURIKU SEIYAKU CO., LTD. (JP) 2002-01-02 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-20040127433-A1 excellent antibacterial activity especially against a typical acid-fast mycobacteria including multiple drug-resistant bacteria MAPRE1, MAPRE2, MRPS27 PLAU 4592/4885CYP2A6 1920/4885F12 4585/4885

“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.