SCHEMBL29520207

SCHEMBL29520207

O=C(CBr)c1cccc(F)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.61
CES1 P23141 2/20 0.61
PTPN1 P18031 4/20 0.59
GSK3B P49841 3/20 0.57
PARP1 P09874 1/20 0.57
KDM4E B2RXH2 3/20 0.54
MAPT P10636 3/20 0.54
HPGD P15428 3/20 0.54
HTT P42858 3/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
NPC1 O15118 2/20 0.54
LMNA P02545 2/20 0.54
TSHR P16473 2/20 0.54
ALOX12 P18054 1/20 0.54
HDAC1 Q13547 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
CTNNB1 P35222 4/20 0.50
WNT3A P56704 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.49

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
SCHEMBL167913 1.00 CES2 (0.61) CES2CES1PTPN1GSK3BPARP1
SCHEMBL9409741 0.85 GSK3B (0.70) CES1PTPN1GSK3BKDM4EMAPT
SCHEMBL29987428 0.83 MEN1 (0.72) CES2CES1PARP1KDM4EMAPT
SCHEMBL3712920 0.82 CES2 (0.63) CES2CES1PARP1KDM4EMAPT
SCHEMBL364308 0.82 CES2 (0.63) CES2CES1PARP1KDM4EMAPT
SCHEMBL29368006 0.82 CES2 (0.63) CES2CES1PARP1KDM4EMAPT
SCHEMBL29772245 0.82 CES2 (0.63) CES2CES1PARP1KDM4EMAPT
SCHEMBL7387888 0.80 MAPT (0.52) CES2CES1PARP1KDM4EMAPT
SCHEMBL2294919 0.80 PARP1 (0.62) CES2CES1PARP1KDM4EMAPT
SCHEMBL13785097 0.80 CES2 (0.61) CES2CES1PARP1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116262673-B Preparation method of alpha-bromoacetophenone compound 浙江工业大学 2025-04-29 CN disclosed
EP-4139286-B1 SUBSTITUTED AMINOTHIAZOLES AS DGKZETA INHIBITORS FOR IMMUNE ACTIVATION BAYER AG (DE) 2025-02-26 EP disclosed
WO-2025021943-A1 QUINAZOLINONE, BENZOXAZINONE AND BENZOXAZEPINONE DERIVATIVES AS PROTEIN KINASE INHIBITORS NEURALIS (BE) 2025-01-30 WO disclosed
CN-119119027-A Azetidine derivative and preparation method and application thereof 遵义医科大学 2024-12-13 CN disclosed
US-11964953-B2 Substituted aminothiazoles as DGKzeta inhibitors for immune activation BAYER AKTIENGESELLSCHAFT (DE) 2024-04-23 US disclosed
CN-117105853-A 3-hydroxypyridine-4 (H) -ketone derivative, and preparation method and application thereof 浙江工业大学 2023-11-24 CN disclosed
CN-116262673-A Preparation method of alpha-bromoacetophenone compound 浙江工业大学 2023-06-16 CN disclosed
US-20230167078-A1 SUBSTITUTED AMINOTHIAZOLES AS DGKZETA INHIBITORS FOR IMMUNE ACTIVATION BAYER AKTIENGESELLSCHAFT (DE) 2023-06-01 US disclosed
US-20230139936-A1 SUBSTITUTED AMINOTHIAZOLES AS DGKZETA INHIBITORS FOR IMMUNE ACTIVATION BAYER AKTIENGESELLSCHAFT (DE) 2023-05-04 US disclosed
EP-4073072-A1 PYRAZOLOTRIAZINES Bayer Aktiengesellschaft (DE) 2022-10-19 EP disclosed
WO-2022188876-A1 FUSED RING HETEROCYCLIC COMPOUND AND APPLICATION THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AND APPLICATION THEREOF 浙江大学 2022-09-15 WO disclosed
CN-109153649-B Allosteric modulators of nicotinic acetylcholine receptors 默沙东公司 2022-04-19 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 (3 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-20230139936-A1 SUBSTITUTED AMINOTHIAZOLES AS DGKZETA INHIBITORS FOR IMMUNE ACTIVATION DGKZ, DGKA, DGKG CES2 3468/4885CES1 1403/4885PTPN1 1527/4885
US-20230167078-A1 SUBSTITUTED AMINOTHIAZOLES AS DGKZETA INHIBITORS FOR IMMUNE ACTIVATION DGKZ, DGKA, DGKG CES2 3468/4885CES1 1403/4885PTPN1 1527/4885
US-11964953-B2 Substituted aminothiazoles as DGKzeta inhibitors for immune activation DGKZ, DGKA, DGKG CES2 3468/4885CES1 1403/4885PTPN1 1527/4885

“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.