SCHEMBL502663

SCHEMBL502663

[CH2]C(O)c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.42
TDO2 P48775 2/20 0.42
AOC3 Q16853 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
ALPG P10696 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ORAI1 Q96D31 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
SCHEMBL28433227 1.00 IDO1 (0.42) IDO1TDO2AOC3HDAC3HDAC4
SCHEMBL7563025 0.77 IDO1 (0.46) IDO1TDO2AOC3HDAC3HDAC4
SCHEMBL3544057 0.77 IDO1 (0.46) IDO1TDO2AOC3HDAC3HDAC4
SCHEMBL11603843 0.77 IDO1 (0.46) IDO1TDO2AOC3HDAC3HDAC4
SCHEMBL597442 0.77 IDO1 (0.46) IDO1TDO2AOC3HDAC3HDAC4
SCHEMBL4454516 0.74 IDO1 (0.44) IDO1TDO2AOC3HDAC3HDAC4
SCHEMBL28092406 0.74 ESR1 (0.50) KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL1253478 0.74 ESR1 (0.50) KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL21994503 0.74 IDO1 (0.44) IDO1TDO2AOC3HDAC3HDAC4
SCHEMBL5006070 0.72 TSHR (0.46) IDO1TDO2AOC3HDAC4HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230416205-A1 COMPOUNDS, COMPOSITIONS, AND METHODS TENVIE THERAPEUTICS, INC. 2023-12-28 US claimed
EP-4247376-A1 COMPOUNDS, COMPOSITIONS, AND METHODS Denali Therapeutics Inc. (US) 2023-09-27 EP claimed
CN-116507608-A Compounds, compositions, and methods 戴纳立制药公司 2023-07-28 CN claimed
WO-2022109268-A1 COMPOUNDS, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2022-05-27 WO claimed
CN-102690269-B Trifluoro methyl substituted quinoline or quinoxaline compound and preparation method thereof, and pharmaceutical composition containing the compound and purpose thereof SHANGHAI INST MATERIA MEDICA 2015-01-07 CN claimed
CN-102690269-A Trifluoro methyl substituted quinoline or quinoxaline compound and preparation method thereof, and pharmaceutical composition containing the compound and purpose thereof SHANGHAI INST MATERIA MEDICA 2012-09-26 CN claimed
CN-102548982-A Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV 2012-07-04 CN claimed
CN-101993416-A Quinoline compound and preparation method thereof, medicament combination containing compound and application of compound SHANGHAI INST MATERIA MEDICA 2011-03-30 CN claimed
WO-2006127024-A1 REAGENTS AND METHODS FOR LABELING TERMINAL OLEFINS EISAI CO. LTD. (JP) 2006-11-30 WO claimed
US-20060045846-A1 Reagents and methods for labeling terminal olefins EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-03-02 US claimed
CN-1130630-A Pyridylthiazolidinecarboxylic acid amide derivatives, their preparation and their therapeutic uses SANKYO CO (JP) 1996-09-11 CN claimed
CN-1074682-A Pyridylthiazolidine carboxylic acid amide derivatives, their preparation and their therapeutic use SANKYO CO (JP) 1993-07-28 CN claimed
EP-4330236-A1 COMPOUNDS, COMPOSITIONS, AND METHODS Denali Therapeutics Inc. (US) 2024-03-06 EP disclosed
US-20230416205-A1 COMPOUNDS, COMPOSITIONS, AND METHODS TENVIE THERAPEUTICS, INC. 2023-12-28 US disclosed
EP-4247376-A1 COMPOUNDS, COMPOSITIONS, AND METHODS Denali Therapeutics Inc. (US) 2023-09-27 EP disclosed
CN-116507608-A Compounds, compositions, and methods 戴纳立制药公司 2023-07-28 CN disclosed
EP-0034894-B1 2-(1-PIPERAZINYL)-2,4,6-CYCLOHEPTATRIEN-1-ONE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, INTERMEDIATES USED IN THE PROCESSES AND THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE DERIVATIVES AYERST, MCKENNA AND HARRISON INC. (CA) 1984-09-12 EP disclosed
US-4337341-A 4a-Aryl-octahydro-1H-2-pyrindines ELI LILLY AND COMPANY (US) 1982-06-29 US disclosed
EP-0034894-A2 2-(1-Piperazinyl)-2,4,6-cycloheptatrien-1-one derivatives, processes for their preparation, intermediates used in the processes and the preparation thereof and pharmaceutical compositions containing the derivatives AYERST, MCKENNA AND HARRISON INC. (CA) 1981-09-02 EP disclosed
EP-0002937-A1 Novel pyrindines and their preparation, formulations and use ELI LILLY AND COMPANY (US) 1979-07-11 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 (2 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-20230416205-A1 COMPOUNDS, COMPOSITIONS, AND METHODS NLRP3, NLRP1, NOD1 IDO1 2259/4885TDO2 2264/4885AOC3 2454/4885
US-20060045846-A1 Reagents and methods for labeling terminal olefins EEF2, RNF168, REL IDO1 2111/4885TDO2 1397/4885AOC3 377/4885

“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.