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SCHEMBL824697

SCHEMBL824697

COc1cc(-c2cc3ccc(N4CCOCC4)cc3c(=O)[nH]2)cc(OC)c1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.51
▸ KDM4E B2RXH2 5/20 0.51
▸ MAPT P10636 5/20 0.51
▸ HPGD P15428 3/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ ACVR1 Q04771 3/20 0.48
▸ TGFBR1 P36897 2/20 0.48
▸ MEN1 O00255 5/20 0.45
▸ KMT2A Q03164 5/20 0.45
▸ POLB P06746 3/20 0.45
▸ GAA P10253 2/20 0.44
▸ BLM P54132 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ CHEK1 O14757 1/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ GSK3B P49841 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
SCHEMBL5974406 0.92 ALDH1A1 (0.44) ALDH1A1KDM4EMAPTHPGDCYP3A4
SCHEMBL824691 0.87 FYN (0.51) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL824623 0.85 MAPT (0.52) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL824695 0.83 STK10 (0.50) ALDH1A1KDM4EMAPTHPGDCYP3A4
SCHEMBL824640 0.81 KIF11 (0.54) ALDH1A1KDM4EMAPTHPGDMEN1
SCHEMBL824839 0.79 GSK3B (0.47) GSK3BPDE3BPDE3AKIF11APAF1
SCHEMBL824717 0.78 APAF1 (0.52) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL5980118 0.75 APAF1 (0.48) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL824715 0.75 STAT3 (0.50) ALDH1A1KDM4EMAPTHPGDCYP3A4
SCHEMBL824947 0.74 TDO2 (0.51) ALDH1A1MAPTTSHRMEN1KMT2A

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 ALDH1A1 2752/4885KDM4E 2949/4885MAPT 3539/4885

“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.