SCHEMBL1720738

SCHEMBL1720738

CC(C)c1[nH]c(=O)c2ccccc2c1CN1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 6/20 0.43
MEN1 O00255 5/20 0.43
ALDH1A1 P00352 8/20 0.43
KDM4E B2RXH2 3/20 0.43
MAPT P10636 3/20 0.43
GAA P10253 2/20 0.43
LMNA P02545 4/20 0.42
TSHR P16473 2/20 0.42
HTT P42858 2/20 0.42
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TLR9 Q9NR96 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
CDK2 P24941 1/20 0.41
TBXAS1 P24557 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
SCHEMBL1721105 0.86 OPRD1 (0.41) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL1719775 0.86 DRD4 (0.49) ALDH1A1KDM4EMAPTGAALMNA
SCHEMBL1720932 0.81 ALDH1A1 (0.44) ALDH1A1KDM4ETSHRPARP1POLB
SCHEMBL1720804 0.81 ALDH1A1 (0.44) ALDH1A1KDM4ETSHRPARP1POLB
SCHEMBL1720805 0.81 ALDH1A1 (0.44) ALDH1A1KDM4ETSHRPARP1POLB
SCHEMBL1720713 0.81 L3MBTL1 (0.56) CHRNA7L3MBTL1KMT2AMEN1ALDH1A1
Iodide SCHEMBL1720301 0.80 L3MBTL1 (0.55) CHRNA7L3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL1720039 0.80 KMT2A (0.57) CHRNA7L3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL1720552 0.79 CHRNA7 (0.46) CHRNA7L3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL1721169 0.77 PARP1 (0.51) KMT2AMEN1KDM4ETLR9PARP1

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 CHRNA7 2196/4885L3MBTL1 3133/4885KMT2A 1063/4885

“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.