SCHEMBL1719950

SCHEMBL1719950

Cc1[nH]c(=O)c2ccccc2c1CN(C(C)C)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
CYP3A4 P08684 1/20 0.45
HSD17B10 Q99714 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTT P42858 1/20 0.40
ALDH1A1 P00352 4/20 0.38
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
PARP1 P09874 5/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 3/20 0.37
TNKS2 Q9H2K2 2/20 0.37
TNKS O95271 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
GPR3 P46089 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
PARP15 Q460N3 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
SCHEMBL1720604 0.83 MAPT (0.64) MAPTCYP3A4HSD17B10SMN1; SMN2HTT
SCHEMBL1720079 0.81 PARP1 (0.44) SMN1; SMN2ALDH1A1PARP1MEN1KMT2A
SCHEMBL1719757 0.79 TSHR (0.52) MAPTCYP3A4HSD17B10SMN1; SMN2HTT
SCHEMBL13901581 0.72 HTT (0.42) MAPTCYP3A4HSD17B10HTTALDH1A1
SCHEMBL1721032 0.72 PARP1 (0.46) MAPTCYP3A4HSD17B10SMN1; SMN2ALDH1A1
Iodide SCHEMBL1720530 0.71 HTT (0.41) MAPTCYP3A4HSD17B10HTTALDH1A1
SCHEMBL11150472 0.71 GAA (0.69) MAPTCYP3A4HSD17B10SMN1; SMN2ALDH1A1
SCHEMBL10229085 0.69 HTT (0.40) MAPTCYP3A4HSD17B10HTTALDH1A1
SCHEMBL4071837 0.69 PARP1 (0.52) MAPTHTTALDH1A1PARP1MEN1
SCHEMBL10227701 0.68 BCHE (0.48) CYP3A4HSD17B10SMN1; SMN2ALDH1A1LMNA

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 MAPT 815/4885CYP3A4 2034/4885HSD17B10 1409/4885

“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.