SCHEMBL824726

SCHEMBL824726

CC(=O)Nc1ccc2cc(-c3ccccc3)[nH]c(=O)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.51
KDM4E B2RXH2 5/20 0.50
KMT2A Q03164 4/20 0.50
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
PDE10A Q9Y233 1/20 0.49
ALDH1A1 P00352 5/20 0.48
HPGD P15428 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ITK Q08881 1/20 0.47
ADORA2A P29274 1/20 0.47
MAOA P21397 1/20 0.47
MEN1 O00255 3/20 0.46
MAPK10 P53779 1/20 0.46
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
CYP2C19 P33261 1/20 0.46
GFER P55789 1/20 0.45
ESR1 P03372 1/20 0.45

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
SCHEMBL2712131 0.89 PDE10A (0.48) ADORA1KDM4EKMT2APDE10AITK
SCHEMBL824730 0.85 PDE10A (0.53) KMT2APDE10AMEN1MAPTPOLB
SCHEMBL824676 0.84 ALDH1A1 (0.52) KDM4EKMT2APDE10AALDH1A1SMN1; SMN2
SCHEMBL824677 0.84 PDE10A (0.52) KMT2APDE10AMEN1MAPTPOLB
SCHEMBL824750 0.83 PARP1 (0.61) PDE10AALDH1A1ITK
SCHEMBL824674 0.83 CYP2C19 (0.55) KDM4EPDE10AALDH1A1HPGDSMN1; SMN2
SCHEMBL824612 0.83 KCNQ2 (0.54) KDM4EKMT2APDE10AALDH1A1HPGD
SCHEMBL30546488 0.82 CASP3 (0.58) KDM4EKMT2AMTNR1AMTNR1BPDE10A
SCHEMBL2712188 0.82 PDE10A (0.50) KDM4EKMT2APDE10AMEN1MAPT
SCHEMBL10225954 0.80 PDE10A (0.43) ADORA1PDE10AADORA2ACASP3SENP8

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-1724262-B1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2012-05-02 EP disclosed
US-8143274-B2 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-03-27 US disclosed
US-8143274-B2 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-03-27 US disclosed
US-8143274-B2 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-03-27 US disclosed
US-20070185160-A1 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-08-09 US disclosed
US-20070185160-A1 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-08-09 US disclosed
US-20070185160-A1 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-08-09 US disclosed
EP-1724262-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-11-22 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-20070185160-A1 1-(2H)-isoquinolone derivative NR3C2, NR1H4, NR3C1 ADORA1 1334/4885KDM4E 2949/4885KMT2A 3020/4885

“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.