SCHEMBL824936

SCHEMBL824936

O=C(COc1ccccc1)Nc1ccc2cc(-c3ccccc3)[nH]c(=O)c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.58
KDM4E B2RXH2 5/20 0.58
LMNA P02545 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
NPC1 O15118 4/20 0.52
POLB P06746 3/20 0.52
HPGD P15428 3/20 0.52
MEN1 O00255 2/20 0.52
ALDH1A1 P00352 2/20 0.52
KMT2A Q03164 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
GLA P06280 1/20 0.52
GAA P10253 1/20 0.52
HTT P42858 1/20 0.52
RAB9A P51151 1/20 0.52
CDK4 P11802 1/20 0.51
CCND1 P24385 1/20 0.51
TSHR P16473 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL824674 0.88 CYP2C19 (0.55) MAPTKDM4ESMN1; SMN2NPC1HPGD
SCHEMBL824677 0.86 PDE10A (0.52) MAPTPOLBMEN1KMT2AL3MBTL1
SCHEMBL824730 0.85 PDE10A (0.53) MAPTPOLBMEN1KMT2AL3MBTL1
SCHEMBL824675 0.85 PTPRC (0.54) MAPTKDM4ESMN1; SMN2NPC1ALDH1A1
SCHEMBL824676 0.84 ALDH1A1 (0.52) MAPTKDM4ELMNASMN1; SMN2NPC1
SCHEMBL2712131 0.82 PDE10A (0.48) MAPTKDM4EMEN1KMT2AGAA
SCHEMBL2712188 0.82 PDE10A (0.50) MAPTKDM4EPOLBMEN1KMT2A
SCHEMBL824750 0.81 PARP1 (0.61) ALDH1A1MAPK1PDE10A
Trifluoroacetic Acid SCHEMBL828477 0.81 PDE10A (0.47) MAPTPOLBMEN1KMT2AL3MBTL1
SCHEMBL824726 0.80 ADORA1 (0.51) MAPTKDM4ESMN1; SMN2NPC1POLB

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 MAPT 3539/4885KDM4E 2949/4885LMNA 4396/4885

“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.