SCHEMBL587024

SCHEMBL587024

COc1cc(Br)cc(CO)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.43
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
MAOB P27338 2/20 0.39
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CALM1 P0DP23 2/20 0.38
AKR1B1 P15121 1/20 0.38
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
PTGS2 P35354 1/20 0.37
CYP19A1 P11511 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
SCHEMBL1621101 0.84 DAO (0.53) DAOALDH1A1MAPTGRIN2DGRIN3B
SCHEMBL65276 0.84 ALDH1A1 (0.58) DAOALDH1A1MAPTGRIN2DGRIN3B
SCHEMBL28764954 0.83 ALDH1A1 (0.40) ALDH1A1MAPTGRIN2DGRIN3BGRIN1
SCHEMBL28123040 0.82 ALDH1A1 (0.55) DAOALDH1A1MAPTGRIN2DGRIN3B
SCHEMBL1346989 0.81 ALDH1A1 (0.42) ALDH1A1MAPTGRIN2DGRIN3BGRIN1
SCHEMBL12044476 0.81 PTGS2 (0.43) ALDH1A1MAPTGRIN2DGRIN3BGRIN1
SCHEMBL29774677 0.81 ALDH1A1 (0.42) ALDH1A1MAPTGRIN2DGRIN3BGRIN1
SCHEMBL16396585 0.80 NQO1 (0.38) ALDH1A1MAPTMAOBALOX15TSHR
SCHEMBL11956987 0.80 HTR1A (0.40) ALDH1A1MAPTMAOBALOX15TSHR
SCHEMBL7672491 0.79 ALDH1A1 (0.40) DAOALDH1A1MAPTGRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250179055-A1 Substituted 2-(pyrrolidine-3-yl)acetic acid derivative, preparation method and use thereof INNOVSTONE THERAPEUTICS LIMITED (CN) 2025-06-05 US disclosed
WO-2025103442-A1 SUBSTITUTED 2-(PYRROLIDIN-3-YL)ACETIC ACID DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 上海翊石医药科技有限公司 2025-05-22 WO disclosed
US-20250136558-A1 PYRAZINE COMPOUNDS AS IRREVERSIBLE INHIBITORS OF FLT3 BIOMEA FUSION, INC. 2025-05-01 US disclosed
EP-4392409-A1 PYRAZINE COMPOUNDS AS IRREVERSIBLE INHIBITORS OF FLT3 Biomea Fusion, Inc. (US) 2024-07-03 EP disclosed
US-11833162-B2 Macrocyclic derivatives, process for preparing same and pharmaceutical compositions containing same LES LABORATOIRES SERVIER (FR) 2023-12-05 US disclosed
EP-3700911-B1 NOVEL MACROCYCLIC DERIVATIVES, PROCESS FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2023-09-06 EP disclosed
CN-111511750-B Macrocyclic derivatives, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2023-06-13 CN disclosed
WO-2023027966-A1 PYRAZINE COMPOUNDS AS IRREVERSIBLE INHIBITORS OF FLT3 BIOMEA FUSION, INC. (US) 2023-03-02 WO disclosed
WO-2020219718-A1 SMALL MOLECULE AUTOPHAGY INDUCERS FOR THE TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES JOHN WAYNE CANCER INSTITUTE (US) 2020-10-29 WO disclosed
EP-3700911-A1 NOVEL MACROCYCLIC DERIVATIVES, PROCESS FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Les Laboratoires Servier SAS (FR) 2020-09-02 EP disclosed
EP-1603880-A1 QUINOLINONE/BENZOXAZINONE DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2005-12-14 EP disclosed
US-20050261308-A1 Quinolinone derivatives and uses thereof ROCHE PALO ALTO LLC 2005-11-24 US disclosed
US-6943169-B2 Quinolinone derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2005-09-13 US disclosed
EP-1463501-A1 CIS-IMIDAZOLINES AS MDM2 INHIBITORS F. Hoffmann-La Roche AG (CH) 2004-10-06 EP disclosed
WO-2004080969-A1 QUINOLINONE / BENZOXAZINONE DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2004-09-23 WO disclosed
US-20040186092-A1 Quinolinone derivaties and uses thereof ROCHE PALO ALTO LLC 2004-09-23 US disclosed
US-6617346-B1 Inhibit the interaction of MDM2 protein with a p53-like peptide and have antiproliferative activity HOFFMANN-LA ROCHE INC. 2003-09-09 US disclosed
WO-2003051360-A1 CIS-IMIDAZOLINES AS MDM2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2003-06-26 WO disclosed
US-6476021-B1 Compounds having cGMP-PDE inhibitory effect MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2002-11-05 US disclosed
EP-1048666-A1 NOVEL COMPOUNDS HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 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 (5 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-11833162-B2 Macrocyclic derivatives, process for preparing same and pharmaceutical compositions containing same C1R, F12, RDX DAO 3799/4885ALDH1A1 1066/4885MAPT 3294/4885
US-20250136558-A1 PYRAZINE COMPOUNDS AS IRREVERSIBLE INHIBITORS OF FLT3 FLT3, MCL1, JAK2 DAO 2146/4885ALDH1A1 1930/4885MAPT 4322/4885
US-20040186092-A1 Quinolinone derivaties and uses thereof NQO2, UGT1A8, UGT1A1 DAO 1268/4885ALDH1A1 249/4885MAPT 4044/4885
US-20250179055-A1 Substituted 2-(pyrrolidine-3-yl)acetic acid derivative, preparation method and use thereof PCSK9, LPL, LYPLA1 DAO 1277/4885ALDH1A1 219/4885MAPT 4493/4885
US-20050261308-A1 Quinolinone derivatives and uses thereof RECQL, NQO2, QRFPR DAO 2064/4885ALDH1A1 803/4885MAPT 4354/4885

“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.