SCHEMBL1720869

SCHEMBL1720869

Cc1[nH]c(=O)c2cc(Cl)ccc2c1CN1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.55
KDM4E B2RXH2 4/20 0.55
MAPT P10636 2/20 0.55
GAA P10253 1/20 0.55
ALOX15 P16050 1/20 0.55
ALDH1A1 P00352 5/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
POLB P06746 1/20 0.54
PIM1 P11309 1/20 0.48
PIM2 Q9P1W9 1/20 0.48
CYP2A13 Q16696 2/20 0.46
TNKS O95271 1/20 0.46
PARP1 P09874 2/20 0.46
TP53 P04637 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
ATM Q13315 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44

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
SCHEMBL1720551 0.89 KMT2A (0.67) HSD17B10KDM4EMAPTGAAALOX15
SCHEMBL1719560 0.86 ALDH1A1 (0.55) KDM4EGAAALDH1A1MEN1KMT2A
SCHEMBL1720033 0.85 HSD17B10 (0.51) HSD17B10KDM4EMAPTGAAALOX15
SCHEMBL1720790 0.84 ALDH1A1 (0.50) HSD17B10KDM4EMAPTGAAALOX15
SCHEMBL1721089 0.83 ALDH1A1 (0.52) HSD17B10KDM4EMAPTGAAALOX15
SCHEMBL1720263 0.83 ALDH1A1 (0.52) HSD17B10KDM4EMAPTGAAALOX15
SCHEMBL1719771 0.83 ALDH1A1 (0.62) HSD17B10KDM4EMAPTGAAALOX15
SCHEMBL1721174 0.80 MEN1 (0.51) HSD17B10KDM4EMAPTGAAALOX15
SCHEMBL1720884 0.79 MAPT (0.61) HSD17B10KDM4EMAPTGAAALOX15
SCHEMBL1719552 0.79 CDC7 (0.52) KDM4EGAAALDH1A1MEN1KMT2A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7501412-B2 Isoquinoline compounds and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-10 US claimed
US-20060094743-A1 Isoquinoline compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2006-05-04 US claimed
EP-1566380-A1 ISOQUINOLINE COMPOUNDS AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2005-08-24 EP claimed
EP-1566380-B1 ISOQUINOLINE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2012-01-11 EP disclosed
EP-1566380-B1 ISOQUINOLINE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2012-01-11 EP disclosed
US-7501412-B2 Isoquinoline compounds and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-10 US disclosed
US-7501412-B2 Isoquinoline compounds and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-10 US disclosed
US-7501412-B2 Isoquinoline compounds and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-10 US disclosed
US-20060094743-A1 Isoquinoline compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2006-05-04 US disclosed
EP-1566380-A1 ISOQUINOLINE COMPOUNDS AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2005-08-24 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-20060094743-A1 Isoquinoline compounds and medicinal use thereof PARP1, NQO1, PARP3 HSD17B10 1409/4885KDM4E 3585/4885MAPT 815/4885

“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.