SCHEMBL4495727

SCHEMBL4495727

Cc1c(C(=O)O)ccc(F)c1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPRS1 P07814 1/20 0.41
CYP1A2 P05177 1/20 0.39
ADRA2A P08913 1/20 0.39
CLCN2 P51788 1/20 0.39
ALB P02768 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
TSHR P16473 3/20 0.37
NOTUM Q6P988 1/20 0.37
HAAO P46952 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36

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
SCHEMBL30993669 1.00 EPRS1 (0.41) EPRS1CYP1A2ADRA2ACLCN2ALB
SCHEMBL852651 0.84 EPRS1 (0.44) EPRS1CYP1A2ADRA2ACLCN2ALB
SCHEMBL31094955 0.81 CYP1A2 (0.44) CYP1A2ALBCES2CES1TSHR
SCHEMBL14472134 0.81 CYP1A2 (0.44) EPRS1CYP1A2ADRA2ACLCN2ALB
SCHEMBL9277089 0.79 NPC1 (0.42) CES2CES1TSHRCASP1SMN1; SMN2
SCHEMBL286718 0.79 HAAO (0.42) CYP1A2RXFP1TSHRNOTUMHAAO
SCHEMBL29975434 0.79 CES2 (0.45) CYP1A2ALBCES2CES1TSHR
SCHEMBL107175 0.79 CES2 (0.50) EPRS1CYP1A2ADRA2ACLCN2ALB
SCHEMBL29465861 0.79 CES2 (0.50) EPRS1CYP1A2ADRA2ACLCN2ALB
SCHEMBL3980826 0.79 CYP1A2 (0.42) EPRS1CYP1A2RXFP1TSHRHAAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025137158-A1 DERIVATIVES OF ([1,2,4]TRIAZOLO[5,1-A]ISOQUINOLINE-5-CARBONYL)GLYCINATE AS PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE AKEBIA THERAPEUTICS, INC. (US) 2025-06-26 WO disclosed
US-20240325547-A1 MODULATORS OF BCL6 PROTEOLYSIS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2024-10-03 US disclosed
WO-2024130095-A9 COMPOUNDS AND COMPOSITIONS AS CBP/P300 DEGRADERS AND USES THEREOF REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2024-08-02 WO disclosed
CN-118388454-A Modulators of BCL6 proteolysis and related methods of use 阿尔维纳斯运营股份有限公司 2024-07-26 CN disclosed
CN-118359538-A Isoquinoline compound, preparation method, pharmaceutical composition and application thereof 上海赛默罗生物科技有限公司 2024-07-19 CN disclosed
WO-2024130095-A1 COMPOUNDS AND COMPOSITIONS AS CBP/P300 DEGRADERS AND USES THEREOF REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2024-06-20 WO disclosed
US-11986532-B2 Modulators of BCL6 proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2024-05-21 US disclosed
EP-4323352-A1 MODULATORS OF BCL6 PROTEOLYSIS AND ASSOCIATED METHODS OF USE Arvinas Operations, Inc. (US) 2024-02-21 EP disclosed
US-20240025890-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2024-01-25 US disclosed
US-20240025890-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2024-01-25 US disclosed
EP-1606269-B1 BIARYL SUBSTITUTED TRIAZOLES AS SODIUM CHANNEL BLOCKERS MERCK & CO INC (US) 2008-10-29 EP disclosed
US-20080171777-A1 Biaryl substituted triazoles as sodium channel blockers MERCK SHARP & DOHME LLC 2008-07-17 US disclosed
US-7326726-B2 Biaryl substituted triazoles as sodium channel blockers MERCK & CO., INC. (US) 2008-02-05 US disclosed
US-20060183897-A1 Biaryl substituted triazoles as sodium channel blockers MERCK & CO., INC. 2006-08-17 US disclosed
WO-2006051390-A1 HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND METHODS OF PREPARING THEM GLENMARK PHARMACEUTICALS S.A. (US) 2006-05-18 WO disclosed
CN-1747936-A Substituted azole derivatives as therapeutic agents TRANSTECH PHARMA INC (US) 2006-03-15 CN disclosed
EP-1606269-A1 BIARYL SUBSTITUTED TRIAZOLES AS SODIUM CHANNEL BLOCKERS Merck & Co., Inc. (US) 2005-12-21 EP disclosed
US-20050119261-A1 Biaryl substituted triazoles as sodium channnel blockers MERCK SHARP & DOHME LLC 2005-06-02 US disclosed
WO-2004083189-A1 BIARYL SUBSTITUTED TRIAZOLES AS SODIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2004-09-30 WO disclosed
WO-2004083190-A1 BIARYL SUBSTITUTED TRIAZOLES AS SODIUM CHANNEL BLOCKERS MERCK & CO. INC. (US) 2004-09-30 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 (6 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-20080171777-A1 Biaryl substituted triazoles as sodium channel blockers SCN3A, TRPV1, SCN1B EPRS1 4820/4885CYP1A2 630/4885ADRA2A 226/4885
US-11986532-B2 Modulators of BCL6 proteolysis and associated methods of use BCL6, BCL6B, BCL3 EPRS1 1499/4885CYP1A2 4721/4885ADRA2A 4792/4885
US-20240025890-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS EPRS1 2360/4885CYP1A2 1502/4885ADRA2A 2979/4885
US-20050119261-A1 Biaryl substituted triazoles as sodium channnel blockers SCN3A, TRPV1, KCNN3 EPRS1 4765/4885CYP1A2 615/4885ADRA2A 218/4885
US-20060183897-A1 Biaryl substituted triazoles as sodium channel blockers SCN3A, TRPV1, SCN1B EPRS1 4820/4885CYP1A2 630/4885ADRA2A 226/4885
US-20240325547-A1 MODULATORS OF BCL6 PROTEOLYSIS AND ASSOCIATED METHODS OF USE BCL6, BCL6B, BCL3 EPRS1 1499/4885CYP1A2 4721/4885ADRA2A 4792/4885

“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.