SCHEMBL827985

SCHEMBL827985

CNC(=O)c1cc(Br)ccc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SORT1 Q99523 3/20 0.46
MAPT P10636 4/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CES2 O00748 1/20 0.42
GALR3 O60755 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
CASP1 P29466 1/20 0.42
ALDH1A1 P00352 2/20 0.42
CREBBP Q92793 1/20 0.42
GAA P10253 1/20 0.41
RXFP1 Q9HBX9 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MYC P01106 1/20 0.41
NR4A1 P22736 1/20 0.41
WDR5 P61964 2/20 0.40

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
SCHEMBL29077293 0.86 SORT1 (0.47) SORT1MAPTNPC1RAB9ACYP1A2
SCHEMBL16846368 0.86 SORT1 (0.47) SORT1MAPTNPC1RAB9ACYP1A2
SCHEMBL1697081 0.85 FLT1 (0.54) SORT1MAPTNPC1RAB9AHPGD
SCHEMBL12909242 0.83 ALDH1A1 (0.55) SORT1MAPTNPC1RAB9ACYP1A2
SCHEMBL7504225 0.82 MAPT (0.55) MAPTRAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL24148132 0.81 HPGD (0.62) MAPTNPC1RAB9ACYP1A2CYP2C9
SCHEMBL23243601 0.80 HPGD (0.47) SORT1MAPTNPC1RAB9ACYP1A2
SCHEMBL23243625 0.80 ALDH1A1 (0.57) SORT1MAPTNPC1RAB9ACYP1A2
SCHEMBL16142876 0.80 NPC1 (0.45) SORT1MAPTNPC1RAB9ACYP1A2
SCHEMBL28903978 0.80 ALDH1A1 (0.46) SORT1MAPTNPC1RAB9ACYP1A2

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4688779-A2 NOVEL COMPOUNDS AND USES THEREOF Acelink Therapeutics, Inc. (US) 2026-02-11 EP disclosed
WO-2024211244-A2 NOVEL COMPOUNDS AND USES THEREOF ACELINK THERAPEUTICS, INC. (US) 2024-10-10 WO disclosed
US-20230227428-A1 AMIDO COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2023-07-20 US disclosed
WO-2021253098-A1 AMIDO COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2021-12-23 WO disclosed
US-9371329-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2016-06-21 US disclosed
EP-2738163-B1 AMIDINE COMPOUND OR SALT THEREOF TAISHO PHARMACEUTICAL CO LTD (JP) 2016-01-20 EP disclosed
EP-2488520-B1 CONDENSED AZINE-DERIVATIVES FOR THE TREATMENT OF DISEASES RELATED TO THE ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME (NL) 2015-09-02 EP disclosed
EP-2488520-B1 CONDENSED AZINE-DERIVATIVES FOR THE TREATMENT OF DISEASES RELATED TO THE ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME (NL) 2015-09-02 EP disclosed
US-9045466-B2 Amidine compound or salt thereof TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-02 US disclosed
US-9045466-B2 Amidine compound or salt thereof TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-02 US disclosed
US-20120208796-A1 HETEROCYCLIC DERIVATIVES ORGANON BIOSCIENCES NEDERLAND B.V. (NL) 2012-08-16 US disclosed
US-20120208796-A1 HETEROCYCLIC DERIVATIVES ORGANON BIOSCIENCES NEDERLAND B.V. (NL) 2012-08-16 US disclosed
US-20120208796-A1 HETEROCYCLIC DERIVATIVES ORGANON BIOSCIENCES NEDERLAND B.V. (NL) 2012-08-16 US disclosed
EP-1724262-B1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2012-05-02 EP disclosed
US-8143274-B2 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-03-27 US disclosed
WO-2011045258-A1 CONDENSED AZINE - DERIVATIVES FOR THE TREATMENT OF DISEASES RELATED TO THE ACETYLCHOLINE RECEPTOR N.V. ORGANON (NL) 2011-04-21 WO disclosed
WO-2011045258-A1 CONDENSED AZINE - DERIVATIVES FOR THE TREATMENT OF DISEASES RELATED TO THE ACETYLCHOLINE RECEPTOR N.V. ORGANON (NL) 2011-04-21 WO disclosed
US-20110021521-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2011-01-27 US disclosed
US-20070185160-A1 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-08-09 US disclosed
EP-1724262-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-11-22 EP 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 (4 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-20230227428-A1 AMIDO COMPOUNDS RIPK1, RIPK3, MLKL SORT1 708/4885MAPT 266/4885NPC1 1150/4885
US-20120208796-A1 HETEROCYCLIC DERIVATIVES CHRNA5, CHRM5, CHRNA7 SORT1 2042/4885MAPT 157/4885NPC1 1024/4885
US-20070185160-A1 1-(2H)-isoquinolone derivative NR3C2, NR1H4, NR3C1 SORT1 1855/4885MAPT 3539/4885NPC1 490/4885
US-20110021521-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, KCNA3 SORT1 4840/4885MAPT 4421/4885NPC1 1293/4885

“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.