SCHEMBL17040892

SCHEMBL17040892

COc1c(C(C)=O)ccc(Br)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 2/20 0.39
MAPT P10636 5/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEP1B Q16820 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAOB P27338 3/20 0.35
MAOA P21397 2/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
HTT P42858 1/20 0.34
TPMT P51580 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
SCHEMBL30316357 0.86 HSD17B10 (0.50) ALDH1A1HPGDHSD17B10MAPTKDM4E
SCHEMBL30204367 0.86 ALOX5AP (0.41) ALDH1A1CYP3A4HPGDMAPK1HSD17B10
SCHEMBL23286523 0.84 SOS1 (0.43) ALDH1A1HPGDHSD17B10MAPTSMN1; SMN2
SCHEMBL29825832 0.84 SOS1 (0.43) ALDH1A1HPGDHSD17B10MAPTSMN1; SMN2
SCHEMBL17040889 0.83 TSHR (0.42) ALDH1A1CYP3A4HSD17B10MAPTSMN1; SMN2
SCHEMBL30100005 0.81 CES2 (0.45) ALDH1A1CYP3A4HPGDMAPK1HSD17B10
SCHEMBL17041239 0.80 ALDH1A1 (0.41) ALDH1A1CYP3A4HPGDMAPK1HSD17B10
SCHEMBL26814321 0.80 ALDH1A1 (0.41) ALDH1A1CYP3A4HPGDMAPK1HSD17B10
SCHEMBL17040318 0.79 MAP3K7 (0.37) ALDH1A1MAPTSMN1; SMN2RAB9AKMT2A
SCHEMBL1260155 0.79 ALDH1A1 (0.44) ALDH1A1CYP3A4HPGDMAPK1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025109474-A1 SUBSTITUTED IMIDAZOARENES AND METHODS OF THEIR USE NOVARTIS AG (CH) 2025-05-30 WO disclosed
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 ALDH1A1 3415/4885CYP3A4 1738/4885HPGD 884/4885

“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.