SCHEMBL1720550

SCHEMBL1720550

COc1ccc(C(=O)C2CCN(C(=O)c3ccccc3)CC2)cc1

nearest known ligand 0.89

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.89
ALDH1A1 P00352 4/20 0.81
LMNA P02545 2/20 0.81
MGLL Q99685 4/20 0.79
HSD11B1 P28845 3/20 0.79
SMN1; SMN2 Q16637 1/20 0.79
GAA P10253 1/20 0.75
SLC18A3 Q16572 3/20 0.73
ACHE P22303 1/20 0.70
BACE1 P56817 1/20 0.70
KMT2A Q03164 3/20 0.69
MEN1 O00255 2/20 0.69

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
SCHEMBL6210853 1.00 POLB (0.89) POLBALDH1A1LMNAMGLLHSD11B1
SCHEMBL6210639 0.88 HSD11B1 (1.00) POLBALDH1A1LMNAMGLLHSD11B1
SCHEMBL21625275 0.88 MGLL (1.00) POLBALDH1A1LMNAMGLLHSD11B1
SCHEMBL1720183 0.87 MGLL (0.82) POLBALDH1A1MGLLHSD11B1ACHE
SCHEMBL4962237 0.86 POLB (0.78) POLBALDH1A1LMNAMGLLHSD11B1
SCHEMBL9980689 0.85 SLC18A3 (0.96) POLBSLC18A3
SCHEMBL9980908 0.85 SLC18A3 (1.00) POLBALDH1A1LMNASLC18A3
SCHEMBL21926983 0.85 ALDH1A1 (0.72) POLBALDH1A1LMNAHSD11B1SMN1; SMN2
SCHEMBL21926323 0.85 ALDH1A1 (0.72) POLBALDH1A1LMNAHSD11B1SMN1; SMN2
SCHEMBL1720669 0.85 MEN1 (0.88) POLBALDH1A1LMNAMGLLHSD11B1

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 POLB 42/4885ALDH1A1 169/4885LMNA 719/4885

“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.