SCHEMBL1719879

SCHEMBL1719879

CCc1[nH]c(=O)c2cc(Cl)ccc2c1CN1CCCC1CO

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 5/20 0.45
PARP1 P09874 1/20 0.43
SPHK1 Q9NYA1 6/20 0.41
SPHK2 Q9NRA0 5/20 0.41
CFB P00751 1/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
KCNH2 Q12809 1/20 0.38
BACE1 P56817 1/20 0.37

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
SCHEMBL1719877 1.00 DDR1 (0.45) DDR1PARP1SPHK1SPHK2CFB
SCHEMBL1720592 1.00 DDR1 (0.45) DDR1PARP1SPHK1SPHK2CFB
SCHEMBL1720556 0.88 PARP1 (0.43) DDR1PARP1SPHK1SPHK2CFB
SCHEMBL1720739 0.88 PARP1 (0.43) DDR1PARP1SPHK1SPHK2CFB
SCHEMBL1720740 0.88 PARP1 (0.43) DDR1PARP1SPHK1SPHK2CFB
SCHEMBL1720866 0.88 PARP1 (0.47) DDR1PARP1SPHK1SPHK2CFB
SCHEMBL1720611 0.88 PARP1 (0.47) DDR1PARP1SPHK1SPHK2CFB
SCHEMBL1720613 0.88 PARP1 (0.47) DDR1PARP1SPHK1SPHK2CFB
SCHEMBL1721092 0.86 PARP1 (0.52) PARP1SPHK1SPHK2CFBKDM4E
SCHEMBL1720372 0.86 PARP1 (0.52) PARP1SPHK1SPHK2CFBKDM4E

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 7 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-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 DDR1 4653/4885PARP1 1/4885SPHK1 1422/4885

“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.