SCHEMBL844529

SCHEMBL844529

COC(=O)c1cccnc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.51
TDP1 Q9NUW8 1/20 0.51
MAP2K1 Q02750 1/20 0.49
HDAC6 Q9UBN7 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
PKM P14618 1/20 0.47
POLB P06746 2/20 0.46
ATM Q13315 1/20 0.46
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
CFTR P13569 3/20 0.44
CNR2 P34972 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 1/20 0.43
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
PSMD14 O00487 1/20 0.42

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
SCHEMBL14803669 0.85 KDM4E (0.53) KDM4ETDP1MAP2K1L3MBTL1PKM
SCHEMBL3694218 0.84 KDM4E (0.44) KDM4ETDP1MAP2K1HDAC6L3MBTL1
SCHEMBL27853426 0.83 HDAC6 (0.45) KDM4ETDP1HDAC6L3MBTL1POLB
SCHEMBL28024019 0.83 HDAC6 (0.45) KDM4ETDP1HDAC6L3MBTL1PKM
SCHEMBL4372942 0.83 HDAC6 (0.51) KDM4ETDP1HDAC6POLBLMNA
SCHEMBL30785815 0.83 KDM4E (0.55) KDM4EHDAC6L3MBTL1POLBLMNA
SCHEMBL3662007 0.83 KDM4E (0.55) KDM4EHDAC6L3MBTL1POLBLMNA
SCHEMBL18033657 0.81 HDAC6 (0.48) KDM4ETDP1HDAC6L3MBTL1POLB
SCHEMBL28776329 0.81 HDAC6 (0.43) KDM4ETDP1HDAC6L3MBTL1PKM
SCHEMBL27764496 0.80 HDAC6 (0.50) KDM4ETDP1HDAC6L3MBTL1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3081263-A None JP disclosed
CN-118703012-B Composite membrane suitable for Prussian blue positive electrode material, and preparation method and application thereof 太仓中科赛诺新能源科技有限公司 2024-11-15 CN disclosed
CN-118589053-B Sodium ion battery electrolyte and preparation method and application thereof 太仓中科赛诺新能源科技有限公司 2024-10-11 CN disclosed
CN-118703012-A Composite membrane suitable for Prussian blue positive electrode material, and preparation method and application thereof 太仓中科赛诺新能源科技有限公司 2024-09-27 CN disclosed
CN-118589053-A Sodium ion battery electrolyte and preparation method and application thereof 太仓中科赛诺新能源科技有限公司 2024-09-03 CN disclosed
CN-116818822-A Nuclear magnetic resonance method for quantifying glutathione in living cells through reversible reaction 南开大学 2023-09-29 CN disclosed
WO-2023097386-A1 SELECTIVE HDAC6-INHIBITING N-ACYLHYDRAZONE COMPOUNDS, METHODS FOR PRODUCING SAME, COMPOSITIONS, USES, TREATMENT METHODS AND KITS EUROFARMA LABORATÓRIOS S.A (BR) 2023-06-08 WO disclosed
CN-114957217-A Compound containing 2-trifluoromethyl picolinamide structure, preparation method and application thereof, herbicide and application thereof 华中师范大学 2022-08-30 CN disclosed
EP-2432776-B1 METHYL SULFANYL PYRIMIDINES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS UNIV LAVAL (CA) 2019-09-11 EP disclosed
EP-2432776-B1 METHYL SULFANYL PYRIMIDINES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS UNIV LAVAL (CA) 2019-09-11 EP disclosed
US-20100298336-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITE LAVAL (CA) 2010-11-25 US disclosed
US-20100298336-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITE LAVAL (CA) 2010-11-25 US disclosed
US-20100298336-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITE LAVAL (CA) 2010-11-25 US disclosed
WO-2010132999-A1 METHYL SULFANYL PYRMIDMES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS CHLORION PHARMA, INC. (CA) 2010-11-25 WO disclosed
CN-1143849-C Pyridine ketones useful as herbicides �����ɷ� 2004-03-31 CN disclosed
CN-1026455-C 2, 6-substituted pyridine compounds MONSANTO CO (US) 1994-11-09 CN disclosed
JP-H0381263-A 2-TRIFLUOROMETHYLNICOTINIC ACID DERIVATIVE ISHIHARA SANGYO KAISHA LTD 1991-04-05 JP disclosed
CN-88100822-A Be used as 2,6 one substituted pyridine compound and herbicidal methods thereof of the replacement of weedicide 1988-09-14 CN disclosed
CN-88100828-A Substituted 2, 6-substituted pyridine compounds 1988-08-24 CN disclosed
CN-87103523-A The 5-sulfur substituted pyriding monocarboxylic herbicides 1987-12-09 CN 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 (1 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-20100298336-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS TYMS, P2RX2, TYMP KDM4E 3841/4885TDP1 425/4885MAP2K1 2550/4885

“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.