SCHEMBL2427232

SCHEMBL2427232

COc1ccc(-c2nc(OCC#N)c3cc(OC)ccc3c2[N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 2/20 0.37
HTT P42858 2/20 0.37
PDE10A Q9Y233 2/20 0.37
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
PIM1 P11309 1/20 0.36
PIM3 Q86V86 1/20 0.36
ADORA1 P30542 1/20 0.36
S1PR4 O95977 1/20 0.35
KCNA5 P22460 1/20 0.35
KCNH2 Q12809 1/20 0.35
HNF4A P41235 2/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL14867341 0.95 LMNA (0.41) LMNAMAPTALDH1A1KDM4EGAA
SCHEMBL2428650 0.89 CASR (0.42) LMNAMAPTALDH1A1KDM4EGAA
SCHEMBL12324331 0.86 MAPT (0.44) LMNAMAPTALDH1A1KDM4EGAA
SCHEMBL14867304 0.84 S1PR4 (0.35) LMNAMAPTALDH1A1KDM4EGAA
SCHEMBL14867342 0.84 CASR (0.40) LMNAMAPTALDH1A1KDM4ENPC1
SCHEMBL14871775 0.81 PDE10A (0.40) LMNAMAPTALDH1A1KDM4EGAA
SCHEMBL14871602 0.79 MAPT (0.44) LMNAMAPTALDH1A1KDM4EGAA
SCHEMBL2429295 0.78 MAPT (0.43) LMNAMAPTALDH1A1KDM4EGAA
SCHEMBL2432112 0.78 MAPT (0.49) LMNAMAPTALDH1A1KDM4EGAA
SCHEMBL14867299 0.76 PDE10A (0.38) LMNAMAPTALDH1A1KDM4EPDE10A

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
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-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-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
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
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
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 LMNA 2352/4885MAPT 4086/4885ALDH1A1 2507/4885

“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.