SCHEMBL481795

SCHEMBL481795

O=C1N=Cc2cc(Br)ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 1/20 0.45
PTPRC P08575 1/20 0.39
TRPA1 O75762 1/20 0.39
BCL2 P10415 2/20 0.38
MCL1 Q07820 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
PARP10 Q53GL7 2/20 0.38
TDP2 O95551 1/20 0.38
PARP11 Q9NR21 1/20 0.38
TGM2 P21980 1/20 0.37
CES1 P23141 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
HSP90AA1 P07900 1/20 0.35
TLR9 Q9NR96 1/20 0.35
METAP1 P53582 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
SCHEMBL2034873 0.83 S100A4 (0.45) S100A4PTPRCTRPA1BCL2MCL1
SCHEMBL16970869 0.77 TDP2 (0.39) TDP2TGM2CES1PARP1
SCHEMBL15284506 0.75 CA1 (0.38) CA1CA2CA7CA9PARP10
SCHEMBL31098477 0.75 ESR2 (0.45) PTPRCTRPA1CA1CA2CA7
SCHEMBL1162921 0.75 NPC1 (0.41) S100A4PTPRCCA9TDP2RPS6KA3
SCHEMBL18939906 0.75
SCHEMBL30459796 0.75
SCHEMBL18986837 0.71 ALDH1A1 (0.38) MCL1MAOAMAOBPIM1DAPK3
SCHEMBL3484736 0.71 CA1 (0.43) TRPA1CA1CA2CA4CA7
SCHEMBL31098567 0.71 GAA (0.41) CA1CA2CA4CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324044-A1 METABOTROPIC GLUTAMATE RECEPTOR ISOXAZOLE LIGANDS AND THEIR USE AS POTENTIATORS CACCIOLA JOSEPH 2010-12-23 US claimed
EP-4724441-A1 ISOINDOLINONE AND DIHYDROPYRROLOPRIDINONE COMPOUNDS AND USES THEREOF Revir Therapeutics, Inc. (US) 2026-04-15 EP disclosed
WO-2025264844-A1 HETEROCYCLIC GPR52 MODULATORS AND METHODS OF USE THEREOF LIEBER INSTITUTE, INC. (US) 2025-12-26 WO disclosed
US-20250304552-A1 ASK1 INHIBITOR COMPOUNDS AND USES THEREOF SEAL ROCK THERAPEUTICS INC (US) 2025-10-02 US disclosed
US-20250171420-A1 MOLECULAR GLUE DEGRADERS AND METHODS OF USING THE SAME MONTE ROSA THERAPEUTICS AG (CH) 2025-05-29 US disclosed
US-20250154107-A1 3,4-Dihydroisoquinolin-1(2H)-Ones Derivatives as STING Antagonists and the Use Thereof BEIGENE SWITZERLAND GMBH (CH) 2025-05-15 US disclosed
WO-2025096771-A1 MODULATORS OF BCL6 AS LIGAND DIRECTED DEGRADERS BRISTOL-MYERS SQUIBB COMPANY (US) 2025-05-08 WO disclosed
WO-2024251211-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR MODULATING SPLICING OF MSH3 REVIR THERAPEUTICS, INC. (US) 2024-12-12 WO disclosed
WO-2024251212-A1 ISOINDOLINONE AND DIHYDROPYRROLOPRIDINONE COMPOUNDS AND USES THEREOF REVIR THERAPEUTICS, INC. (US) 2024-12-12 WO disclosed
EP-4448513-A1 3, 4-DIHYDROISOQUINOLIN-1 (2H) -ONES DERIVATIVES AS STING ANTAGONISTS AND THE USE THEREOF BeiGene Switzerland GmbH (CH) 2024-10-23 EP disclosed
WO-2007084391-A2 THIAZOLE COMPOUNDS AS PROTEIN KINASE B ( PKB) INHIBITORS AMGEN INC. (US) 2007-07-26 WO disclosed
EP-1778634-A1 ISOINDOLONE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS AstraZeneca AB (SE) 2007-05-02 EP disclosed
WO-2007027855-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2007-03-08 WO disclosed
US-20070049603-A1 Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC. 2007-03-01 US disclosed
WO-2007021309-A1 SUBSTITUTED ISOINDOLONES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2007-02-22 WO disclosed
WO-2007021308-A1 METABOTROPIC GLUTAMATE-RECEPTOR-POTENTIATING ISOINDOLONES ASTRAZENECA AB (SE) 2007-02-22 WO disclosed
WO-2006020879-A1 ISOINDOLONE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2006-02-23 WO disclosed
US-6831175-B2 Such as N,N-dimethyl-N-(2-((5-((E)-2-pyridin-4-ylvinyl) pyridin-3-yl)oxy)ethyl)amine ABBOTT LABORATORIES 2004-12-14 US disclosed
US-20030199511-A1 Kinase inhibitors ABBVIE INC. 2003-10-23 US disclosed
US-20030187026-A1 Kinase inhibitors ABBOTT LABORATORIES 2003-10-02 US 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 (7 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-20030187026-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 S100A4 2363/4885PTPRC 648/4885TRPA1 4858/4885
US-20070049603-A1 Raf inhibitor compounds and methods of use thereof BRAF, RAF1, ARAF S100A4 2887/4885PTPRC 1599/4885TRPA1 4672/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 S100A4 2363/4885PTPRC 648/4885TRPA1 4858/4885
US-20250304552-A1 ASK1 INHIBITOR COMPOUNDS AND USES THEREOF ATF1, MAP3K1, ROCK1 S100A4 3551/4885PTPRC 2423/4885TRPA1 4186/4885
US-20250171420-A1 MOLECULAR GLUE DEGRADERS AND METHODS OF USING THE SAME PSMA1, CSNK1G1, CSNK1A1 S100A4 915/4885PTPRC 1610/4885TRPA1 4726/4885
US-20250154107-A1 3,4-Dihydroisoquinolin-1(2H)-Ones Derivatives as STING Antagonists and the Use Thereof STING1, IRF3, MAVS S100A4 1495/4885PTPRC 2097/4885TRPA1 735/4885
US-20100324044-A1 METABOTROPIC GLUTAMATE RECEPTOR ISOXAZOLE LIGANDS AND THEIR USE AS POTENTIATORS GRM1, GRM3, GRM2 S100A4 2695/4885PTPRC 1584/4885TRPA1 738/4885

“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.