SCHEMBL1720033

SCHEMBL1720033

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

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.51
PARP1 P09874 4/20 0.48
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 4/20 0.47
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
CASP1 P29466 2/20 0.44
CASP7 P55210 2/20 0.44
MAPK8 P45983 1/20 0.44
MAPK9 P45984 1/20 0.44
PARP2 Q9UGN5 1/20 0.44
TNKS O95271 3/20 0.43
ATM Q13315 2/20 0.43
GAA P10253 2/20 0.43
GLA P06280 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 2/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL1721010 0.89 KMT2A (0.48) HSD17B10PARP1ALDH1A1KDM4EKMT2A
SCHEMBL1719869 0.86 TNKS (0.55) PARP1KDM4ETNKSATM
SCHEMBL1720869 0.85 HSD17B10 (0.55) HSD17B10PARP1ALDH1A1KDM4EKMT2A
SCHEMBL1721113 0.84 DRD2 (0.56) HSD17B10PARP1ALDH1A1KDM4EMAPK8
SCHEMBL1719789 0.83 MCL1 (0.42) HSD17B10PARP1ALDH1A1KDM4EKMT2A
SCHEMBL1720816 0.83 RXFP1 (0.46) HSD17B10PARP1ALDH1A1KDM4EKMT2A
SCHEMBL1719771 0.83 ALDH1A1 (0.62) HSD17B10PARP1ALDH1A1KDM4EKMT2A
SCHEMBL1720128 0.80 KDM4E (0.49) PARP1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL1720908 0.79 CYP19A1 (0.44) PARP1ALDH1A1KDM4EMAPK8MAPK9
SCHEMBL1719867 0.79 KDM4E (0.61) HSD17B10ALDH1A1KDM4EKMT2AMEN1

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
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
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 1409/4885PARP1 1/4885ALDH1A1 169/4885

“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.