SCHEMBL2428892

SCHEMBL2428892

COc1ccc(Cn2c(-c3ccccc3)cc3ccccc3c2=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
P2RX4 Q99571 1/20 0.53
BLM P54132 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
MAPT P10636 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MAPK8 P45983 2/20 0.49
ALDH1A1 P00352 3/20 0.49
SIRT2 Q8IXJ6 1/20 0.48
SIRT1 Q96EB6 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
GRIK1 P39086 1/20 0.48
GRIK2 Q13002 1/20 0.48

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
SCHEMBL1035993 0.95 ALDH1A1 (0.53) TDP1L3MBTL1P2RX4BLMSMN1; SMN2
SCHEMBL1034613 0.87 ALDH1A1 (0.56) P2RX4SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL1033487 0.86 ALDH1A1 (0.55) TDP1P2RX4SMN1; SMN2KMT2AMEN1
SCHEMBL1033233 0.84 F11 (0.45) SMN1; SMN2KMT2AMEN1KDM4EALDH1A1
SCHEMBL1030620 0.83 ALDH1A1 (0.51) TDP1P2RX4SMN1; SMN2KMT2AMEN1
SCHEMBL31014731 0.83 TDP1 (0.57) TDP1L3MBTL1P2RX4BLMSMN1; SMN2
SCHEMBL12324355 0.83 MEN1 (0.47) L3MBTL1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL4569300 0.81 TDP1 (0.52) TDP1L3MBTL1P2RX4BLMSMN1; SMN2
SCHEMBL1032985 0.79 ALDH1A1 (0.49) TDP1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL1033163 0.79 ALDH1A1 (0.48) TDP1SMN1; SMN2KMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2542239-B1 USE OF ISOQUINOLONES FOR PREPARING DRUGS, NOVEL ISOQUINOLONES AND METHOD FOR SYNTHESISING SAME Université Joseph Fourier (FR) 2015-11-11 EP disclosed
US-8883763-B2 Use of isoquinolones for preparing drugs, novel isoquinolones and method for synthesising same UNIVERSITE JOSEPH FOURIER (FR) 2014-11-11 US disclosed
US-20130096083-A1 USE OF ISOQUINOLONES FOR PREPARING DRUGS, NOVEL ISOQUINOLONES AND METHOD FOR SYNTHESISING SAME UNIVERSITE JOSEPH FOURIER (FR) 2013-04-18 US disclosed
EP-2542239-A1 USE OF ISOQUINOLONES FOR PREPARING DRUGS, NOVEL ISOQUINOLONES AND METHOD FOR SYNTHESISING SAME Université Joseph Fourier (FR) 2013-01-09 EP disclosed
WO-2011107709-A1 USE OF ISOQUINOLONES FOR PREPARING DRUGS, NOVEL ISOQUINOLONES AND METHOD FOR SYNTHESISING SAME UNIVERSITE JOSEPH FOURIER (FR) 2011-09-09 WO 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-20130096083-A1 USE OF ISOQUINOLONES FOR PREPARING DRUGS, NOVEL ISOQUINOLONES AND METHOD FOR SYNTHESISING SAME GNAQ, HCCS, SDHA TDP1 2192/4885L3MBTL1 4783/4885P2RX4 751/4885

“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.