SCHEMBL17040757

SCHEMBL17040757

CCOc1nccc2c(Br)cccc12

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
PLAU P00749 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
LRRK2 Q5S007 1/20 0.37
GRM5 P41594 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL14909046 0.85 GRM4 (0.41) HPGDSMN1; SMN2PLAUALDH1A1KMT2A
SCHEMBL3376432 0.82 PLAU (0.46) HPGDSMN1; SMN2PLAUALDH1A1KMT2A
SCHEMBL3366719 0.82 PLAU (0.41) SMN1; SMN2PLAUALDH1A1KMT2AMEN1
SCHEMBL7674289 0.81 CYP1A2 (0.46) HPGDSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL30418432 0.81 CYP1A2 (0.46) HPGDSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL14910346 0.80 GRM4 (0.43) HPGDSMN1; SMN2PLAUALDH1A1KMT2A
SCHEMBL7682274 0.79 HPGD (0.46) HPGDSMN1; SMN2KMT2AMEN1LRRK2
SCHEMBL30418273 0.79 HPGD (0.46) HPGDSMN1; SMN2KMT2AMEN1LRRK2
SCHEMBL15367189 0.79 LMNA (0.46) HPGDPLAUALDH1A1KMT2AMEN1
SCHEMBL7036549 0.79 HPGD (0.44) HPGDSMN1; SMN2PLAUALDH1A1KMT2A

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 6 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-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
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 HPGD 884/4885SMN1; SMN2 1305/4885PLAU 4127/4885

“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.