SCHEMBL13622151

SCHEMBL13622151

O=C(O)c1cc(CBr)ccc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.50
PARP1 P09874 2/20 0.45
KLKB1 P03952 1/20 0.44
CTSB P07858 1/20 0.44
MMP9 P14780 1/20 0.44
DNMT1 P26358 1/20 0.44
DNMT3B Q9UBC3 1/20 0.44
DNMT3L Q9UJW3 1/20 0.44
DNMT3A Q9Y6K1 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CDC25B P30305 1/20 0.43
CASP6 P55212 1/20 0.43
RCE1 Q9Y256 1/20 0.43
PPARA Q07869 1/20 0.42
PTPN1 P18031 1/20 0.42
CYP4F2 P78329 2/20 0.41
CYP4A11 Q02928 2/20 0.41
CFD P00746 1/20 0.41
LCK P06239 1/20 0.41
CES2 O00748 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
SCHEMBL30851337 1.00 MRGPRX4 (0.50) MRGPRX4PARP1KLKB1CTSBMMP9
SCHEMBL506187 0.86 EPHX2 (0.47) KLKB1CTSBMMP9DNMT1DNMT3B
SCHEMBL26162686 0.83 CYP4F2 (0.44) MRGPRX4CYP4F2CYP4A11CFDCES2
SCHEMBL13622154 0.83 ALDH1A1 (0.47) MRGPRX4PARP1ALDH1A1CYP4F2CYP4A11
SCHEMBL14670236 0.82 MRGPRX4 (0.51) MRGPRX4PARP1KLKB1CTSBMMP9
SCHEMBL1401542 0.82 MRGPRX4 (0.51) MRGPRX4PARP1KLKB1CTSBMMP9
SCHEMBL2857663 0.82 KLKB1 (0.48) KLKB1CTSBMMP9DNMT1DNMT3B
Acetic Acid SCHEMBL28404737 0.81 EPHX2 (0.47) KLKB1CTSBMMP9DNMT1DNMT3B
SCHEMBL9753535 0.81 CES2 (0.50) ALDH1A1CES2CES1CYP3A4KDM4E
SCHEMBL18901395 0.81 MRGPRX4 (0.50) MRGPRX4PARP1KLKB1CTSBMMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12378200-B2 Oxopyridine derivatives useful as aminocarboxymuconate semialdehyde decarboxylase (ACMSD) inhibitors ORSOBIO, INC. (US) 2025-08-05 US disclosed
US-20250145572-A1 Aminocarboxymuconate Semialdehyde Decarboxylase (ACMSD) Inhibitors ORSOBIO INC (US) 2025-05-08 US disclosed
CN-117642393-A Novel PARP7 inhibitor and application thereof 上海齐鲁制药研究中心有限公司 2024-03-01 CN disclosed
US-20240059657-A1 OXOPYRIDINE DERIVATIVES USEFUL AS AMINOCARBOXYMUCONATE SEMIALDEHYDE DECARBOXYLASE (ACMSD) INHIBITORS OrsoBio Inc. 2024-02-22 US disclosed
US-11780812-B2 Oxopyridine derivatives useful as aminocarboxymuconate semialdehyde decarboxylase (ACMSD) inhibitors ORSOBIO, INC. (US) 2023-10-10 US disclosed
US-11780812-B2 Oxopyridine derivatives useful as aminocarboxymuconate semialdehyde decarboxylase (ACMSD) inhibitors ORSOBIO, INC. (US) 2023-10-10 US disclosed
US-11780812-B2 Oxopyridine derivatives useful as aminocarboxymuconate semialdehyde decarboxylase (ACMSD) inhibitors ORSOBIO, INC. (US) 2023-10-10 US disclosed
US-20210094916-A1 OXOPYRIDINE DERIVATIVES USEFUL AS AMINOCARBOXYMUCONATE SEMIALDEHYDE DECARBOXYLASE (ACMSD) INHIBITORS ORSOBIO, INC. 2021-04-01 US disclosed
US-20210094916-A1 OXOPYRIDINE DERIVATIVES USEFUL AS AMINOCARBOXYMUCONATE SEMIALDEHYDE DECARBOXYLASE (ACMSD) INHIBITORS ORSOBIO, INC. 2021-04-01 US disclosed
WO-2020083089-A1 COMPOUND OF 5- OR 6-MEMBERED HETEROCYCLIC PYRIMIDINES AND USE THEREOF 罗欣药业(上海)有限公司 2020-04-30 WO disclosed
WO-2020083089-A1 COMPOUND OF 5- OR 6-MEMBERED HETEROCYCLIC PYRIMIDINES AND USE THEREOF 罗欣药业(上海)有限公司 2020-04-30 WO disclosed
CN-111072667-A Five-membered or six-membered heterocyclic pyrimidine compound and application thereof 罗欣药业(上海)有限公司 2020-04-28 CN disclosed
WO-2018125983-A1 OXOPYRIDINE DERIVATIVES USEFUL AS AMINOCARBOXYMUCONATE SEMIALDEHYDE DECARBOXYLASE (ACMSD) INHIBITORS MITOBRIDGE, INC. (US) 2018-07-05 WO disclosed
WO-2018125983-A1 OXOPYRIDINE DERIVATIVES USEFUL AS AMINOCARBOXYMUCONATE SEMIALDEHYDE DECARBOXYLASE (ACMSD) INHIBITORS MITOBRIDGE, INC. (US) 2018-07-05 WO disclosed
CN-104039784-B Substituted pyrimidine and use thereof 拜耳知识产权有限责任公司 2017-08-22 CN disclosed
CN-106573915-A Compounds active against bromodomains 纽韦卢森公司 2017-04-19 CN disclosed
US-7622612-B2 Tricyclic derivatives and their use CHEMTECH RESEARCH INCORPORATION (KR) 2009-11-24 US disclosed
US-7622612-B2 Tricyclic derivatives and their use CHEMTECH RESEARCH INCORPORATION (KR) 2009-11-24 US disclosed
US-20070021427-A1 Novel tricyclic derivatives and their use CHEMTECH RESEARCH INCORPORATION (KR) 2007-01-25 US disclosed
US-20070021427-A1 Novel tricyclic derivatives and their use CHEMTECH RESEARCH INCORPORATION (KR) 2007-01-25 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 (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-12378200-B2 Oxopyridine derivatives useful as aminocarboxymuconate semialdehyde decarboxylase (ACMSD) inhibitors ALDH7A1, ACMSD, AMD1 MRGPRX4 2962/4885PARP1 1382/4885KLKB1 3549/4885
US-20250145572-A1 Aminocarboxymuconate Semialdehyde Decarboxylase (ACMSD) Inhibitors ACMSD, ALDH7A1, ALAD MRGPRX4 2493/4885PARP1 1908/4885KLKB1 3216/4885
US-20240059657-A1 OXOPYRIDINE DERIVATIVES USEFUL AS AMINOCARBOXYMUCONATE SEMIALDEHYDE DECARBOXYLASE (ACMSD) INHIBITORS ALDH7A1, ACMSD, AMD1 MRGPRX4 2962/4885PARP1 1382/4885KLKB1 3549/4885
US-20070021427-A1 Novel tricyclic derivatives and their use NFATC1, IL2, CCL2 MRGPRX4 730/4885PARP1 2687/4885KLKB1 2067/4885
US-20210094916-A1 OXOPYRIDINE DERIVATIVES USEFUL AS AMINOCARBOXYMUCONATE SEMIALDEHYDE DECARBOXYLASE (ACMSD) INHIBITORS ALDH7A1, OTC, DDC MRGPRX4 3178/4885PARP1 1328/4885KLKB1 3322/4885
US-11780812-B2 Oxopyridine derivatives useful as aminocarboxymuconate semialdehyde decarboxylase (ACMSD) inhibitors ALDH7A1, ACMSD, AMD1 MRGPRX4 2962/4885PARP1 1382/4885KLKB1 3549/4885

“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.