SCHEMBL824698

SCHEMBL824698

CCc1ccccc1-c1cc2ccc(N3CCOCC3)cc2c(=O)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
MEN1 O00255 4/20 0.48
ALDH1A1 P00352 4/20 0.48
KMT2A Q03164 4/20 0.48
MAPT P10636 3/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
APAF1 O14727 1/20 0.46
CDC25B P30305 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
TDO2 P48775 1/20 0.45
IDO2 Q6ZQW0 1/20 0.45
PIK3C3 Q8NEB9 1/20 0.45
STAT3 P40763 1/20 0.44
KIF11 P52732 3/20 0.43
ITK Q08881 1/20 0.43

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
SCHEMBL824715 0.87 STAT3 (0.50) KDM4EMEN1ALDH1A1KMT2AMAPT
SCHEMBL824947 0.86 TDO2 (0.51) MEN1ALDH1A1KMT2AMAPTTDP1
SCHEMBL824732 0.86 APAF1 (0.46) KDM4EMEN1ALDH1A1KMT2AMAPT
SCHEMBL824759 0.84 APAF1 (0.48) KDM4EMEN1ALDH1A1KMT2AMAPT
SCHEMBL5980118 0.84 APAF1 (0.48) KDM4EMEN1ALDH1A1KMT2AMAPT
SCHEMBL824821 0.84 PIK3C3 (0.64) KDM4EMEN1ALDH1A1KMT2AAPAF1
SCHEMBL824695 0.84 STK10 (0.50) KDM4EMEN1ALDH1A1KMT2AMAPT
SCHEMBL824625 0.84 PIK3C3 (0.47) KDM4EMEN1ALDH1A1KMT2AAPAF1
SCHEMBL824950 0.83 TDO2 (0.48) KDM4EMEN1ALDH1A1KMT2AMAPT
SCHEMBL13140462 0.83 TNKS (0.45) KDM4EMEN1ALDH1A1KMT2AMAPT

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 9 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
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 KDM4E 2949/4885MEN1 3604/4885ALDH1A1 2752/4885

“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.