SCHEMBL3545607

SCHEMBL3545607

COCCOCCOCC1CN(c2ccc3cc(-c4ccccc4C(F)(F)F)[nH]c(=O)c3c2)C(=O)O1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 12/20 0.39
PIK3C3 Q8NEB9 1/20 0.36
MAOB P27338 2/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL3545603 1.00 GRM2 (0.39) GRM2PIK3C3MAOBKDM4EALDH1A1
SCHEMBL3542000 0.99 GRM2 (0.39) GRM2PIK3C3MAOBKDM4EALDH1A1
SCHEMBL3541998 0.99 GRM2 (0.39) GRM2PIK3C3MAOBKDM4EALDH1A1
SCHEMBL13118629 0.93 GRM2 (0.36) GRM2PIK3C3
SCHEMBL3540619 0.92 GRM2 (0.42) GRM2PIK3C3MAOB
SCHEMBL3540625 0.92 GRM2 (0.42) GRM2PIK3C3MAOB
SCHEMBL13118597 0.91 GRM2 (0.35) GRM2PIK3C3
SCHEMBL13118594 0.91 GRM2 (0.35) GRM2PIK3C3
SCHEMBL13118606 0.91 GRM2 (0.35) GRM2PIK3C3
SCHEMBL13118599 0.91 GRM2 (0.35) GRM2PIK3C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1854792-B1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2012-12-26 EP claimed
US-7820693-B2 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-10-26 US claimed
US-20090030195-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-01-29 US claimed
EP-1854792-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-11-14 EP claimed
EP-1854792-B1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2012-12-26 EP disclosed
US-7820693-B2 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-10-26 US disclosed
US-20090030195-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-01-29 US disclosed
EP-1854792-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-11-14 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-20090030195-A1 1-(2H)-ISOQUINOLONE DERIVATIVE NQO1, NR5A1, SRD5A1 GRM2 4663/4885PIK3C3 1751/4885MAOB 1779/4885

“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.