SCHEMBL3547449

SCHEMBL3547449

CCOC(OCC)c1cc2ccc(N3CC(CO)OC3=O)cc2c(=O)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.48
MAOB P27338 3/20 0.48
CALML3 P27482 6/20 0.43
GRM2 Q14416 6/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 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
SCHEMBL3547446 1.00 MAOA (0.48) MAOAMAOBCALML3GRM2CYP3A4
SCHEMBL3548157 0.78 MAOA (0.46) MAOAMAOBCALML3GRM2CYP3A4
SCHEMBL3548160 0.78 MAOA (0.46) MAOAMAOBCALML3GRM2CYP3A4
SCHEMBL3538460 0.77 MAOA (0.49) MAOAMAOBCALML3GRM2CYP3A4
SCHEMBL3541585 0.77 MAOA (0.49) MAOAMAOBCALML3GRM2CYP3A4
SCHEMBL3538455 0.77 MAOA (0.49) MAOAMAOBCALML3GRM2CYP3A4
SCHEMBL3545245 0.76 MAOA (0.54) MAOAMAOBCALML3GRM2CYP3A4
SCHEMBL3545241 0.76 MAOA (0.54) MAOAMAOBCALML3GRM2CYP3A4
SCHEMBL3543700 0.76 MAOA (0.51) MAOAMAOBCALML3GRM2
SCHEMBL3543693 0.76 MAOA (0.51) MAOAMAOBCALML3GRM2

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 4 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 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 MAOA 677/4885MAOB 1779/4885CALML3 4208/4885

“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.