SCHEMBL1719734

SCHEMBL1719734

O=C(c1ccccc1)C1CCN(C(=O)c2ccccc2)C1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 5/20 0.68
KMT2A Q03164 4/20 0.68
MEN1 O00255 3/20 0.68
HSD11B1 P28845 3/20 0.68
CPB1 P15086 1/20 0.61
SLC18A3 Q16572 2/20 0.60
ACHE P22303 1/20 0.58
EPHX2 P34913 1/20 0.57
ALDH1A1 P00352 1/20 0.57

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
SCHEMBL1720591 0.91 HSD11B1 (0.84) MGLLKMT2AMEN1HSD11B1SLC18A3
SCHEMBL5476619 0.91 HSD11B1 (0.84) MGLLKMT2AMEN1HSD11B1SLC18A3
SCHEMBL1720091 0.91 MGLL (0.84) MGLLKMT2AMEN1HSD11B1
SCHEMBL5479680 0.90 ALDH1A1 (0.62) MGLLKMT2AMEN1HSD11B1ALDH1A1
SCHEMBL1720183 0.90 MGLL (0.82) MGLLKMT2AMEN1HSD11B1CPB1
SCHEMBL968362 0.88 CPB1 (0.59) MGLLKMT2AMEN1HSD11B1CPB1
SCHEMBL21848101 0.88 CPB1 (0.59) MGLLKMT2AMEN1HSD11B1CPB1
SCHEMBL16695294 0.88 ACHE (0.60) MGLLKMT2AMEN1HSD11B1ACHE
SCHEMBL3284280 0.85 SMN1; SMN2 (0.68) MGLLKMT2AMEN1HSD11B1ACHE
SCHEMBL16695142 0.85 SMN1; SMN2 (0.68) MGLLKMT2AMEN1HSD11B1ACHE

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MGLL 3022/4885KMT2A 1063/4885MEN1 3125/4885

“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.