SCHEMBL1720372

SCHEMBL1720372

CCc1[nH]c(=O)c2ccccc2c1CN1CCCC1CO

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.52
CFB P00751 1/20 0.43
KDM4E B2RXH2 1/20 0.41
SPHK1 Q9NYA1 6/20 0.41
SPHK2 Q9NRA0 5/20 0.41
PNP P00491 2/20 0.40
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
PDCD1 Q15116 3/20 0.39
CD274 Q9NZQ7 3/20 0.39
METTL3 Q86U44 1/20 0.38
METTL14 Q9HCE5 1/20 0.38

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
SCHEMBL1721092 1.00 PARP1 (0.52) PARP1CFBKDM4ESPHK1SPHK2
SCHEMBL1720371 1.00 PARP1 (0.52) PARP1CFBKDM4ESPHK1SPHK2
SCHEMBL1720592 0.86 DDR1 (0.45) PARP1CFBKDM4ESPHK1SPHK2
SCHEMBL1720556 0.86 PARP1 (0.43) PARP1CFBKDM4ESPHK1SPHK2
SCHEMBL1720740 0.86 PARP1 (0.43) PARP1CFBKDM4ESPHK1SPHK2
SCHEMBL1720739 0.86 PARP1 (0.43) PARP1CFBKDM4ESPHK1SPHK2
SCHEMBL1719879 0.86 DDR1 (0.45) PARP1CFBKDM4ESPHK1SPHK2
SCHEMBL1719877 0.86 DDR1 (0.45) PARP1CFBKDM4ESPHK1SPHK2
SCHEMBL1720531 0.86 PARP1 (0.56) PARP1CFBKDM4ESPHK1SPHK2
SCHEMBL1720534 0.86 PARP1 (0.56) PARP1CFBKDM4ESPHK1SPHK2

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
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-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 PARP1 1/4885CFB 3353/4885KDM4E 3585/4885

“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.