SCHEMBL1721180

SCHEMBL1721180

Cc1[nH]c(=O)c2ccccc2c1CN1CC=C(c2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 13/20 0.61
GAA P10253 2/20 0.53
HTT P42858 1/20 0.53
KDM4E B2RXH2 3/20 0.53
MAPT P10636 3/20 0.53
LMNA P02545 1/20 0.53
CASP1 P29466 1/20 0.53
HBB P68871 1/20 0.53
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 1/20 0.47
DRD4 P21917 1/20 0.47

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
SCHEMBL1720425 0.88 PARP1 (0.54) PARP1GAAHTTKDM4EMAPT
SCHEMBL1719564 0.88 HTR6 (0.56) PARP1GAAKDM4EMAPTLMNA
SCHEMBL1720713 0.78 L3MBTL1 (0.56) GAAHTTKDM4EMAPTLMNA
SCHEMBL1721051 0.78 KDM4E (0.74) PARP1GAAHTTKDM4EMAPT
SCHEMBL13901612 0.77 KMT2A (0.50) PARP1GAAHTTKDM4EMAPT
SCHEMBL1720039 0.77 KMT2A (0.57) GAAHTTKDM4EMAPTLMNA
Iodide SCHEMBL1720301 0.77 L3MBTL1 (0.55) GAAHTTKDM4EMAPTLMNA
SCHEMBL3397977 0.76 PARP1 (0.76) PARP1GAAKDM4EMAPTCASP1
SCHEMBL4071837 0.76 PARP1 (0.52) PARP1GAAHTTKDM4EMAPT
SCHEMBL10229094 0.76 PARP1 (0.52) PARP1GAAHTTKDM4EMAPT

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 PARP1 1/4885GAA 505/4885HTT 911/4885

“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.