SCHEMBL17040912

SCHEMBL17040912

CC(N[S@@+]([O-])C(C)(C)C)c1cc(F)cc(F)c1OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 8/20 0.41
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
GLRA1 P23415 2/20 0.38
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.33
FEN1 P39748 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
HPGD P15428 1/20 0.33
PPIA P62937 1/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CCR5 P51681 1/20 0.32

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
SCHEMBL18862530 1.00 KDM1A (0.41) KDM1AMAOAMAOBGLRA1KMT2A
SCHEMBL23383007 0.85 LMNA (0.37) ALDH1A1LMNATDP1MAPTCCR5
SCHEMBL21514010 0.85 LMNA (0.37) ALDH1A1LMNATDP1MAPTCCR5
SCHEMBL18862622 0.80
SCHEMBL18862623 0.80
SCHEMBL17041229 0.80
SCHEMBL18862549 0.80
SCHEMBL31166831 0.77 ALOX5 (0.40) MAOB
SCHEMBL17041231 0.76 PPARA (0.44) KDM1AMAOAMAOBGLRA1MAPT
SCHEMBL20067904 0.75 LMNA (0.41) KMT2AMEN1HTTSMN1; SMN2LMNA

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-3107900-B1 5-BENZYLISOQUINOLEINE DERIVATIVES FOR THE TREATMENT OF CARDIOVASCULAR DISEASES SERVIER LAB (FR) 2017-11-15 EP disclosed
US-9809553-B2 Isoquinoline compounds, a process for their preparation, and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2017-11-07 US disclosed
US-20170137385-A1 ISOQUINOLINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2017-05-18 US disclosed
WO-2015124877-A1 DERIVATIVES OF 5-BENZYLISOQUINOLINE FOR THE TREATMENT OF CARDIOVASCULAR DISEASES LES LABORATOIRES SERVIER (FR) 2015-08-27 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-20170137385-A1 ISOQUINOLINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MYLK, MYLK2, MYLK3 KDM1A 3673/4885MAOA 1120/4885MAOB 1115/4885

“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.