SCHEMBL457747

SCHEMBL457747

FC(F)(F)Oc1cc[c]c(Br)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 5/20 0.40
KIF11 P52732 1/20 0.35
CES1 P23141 1/20 0.34
GAA P10253 3/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
THRB P10828 1/20 0.34
ALOX15 P16050 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
GMNN O75496 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL21630284 0.88 EPHX2 (0.36) GPR3MAPTSLC6A2SLC6A3SCN5A
SCHEMBL407346 0.78 GPR3 (0.41) GPR3KIF11CES1GAAALOX15
SCHEMBL1067722 0.78 ALOX15 (0.39) ALDH1A1POLBALOX15NPC1RAB9A
SCHEMBL622940 0.78 GPR3 (0.41) GPR3KIF11CES1GAAALOX15
SCHEMBL1067461 0.77 GPR3 (0.38) GPR3KIF11CES1GAAALOX15
SCHEMBL538958 0.76 GPR3 (0.41) GPR3KIF11CES1GAAPOLB
SCHEMBL3076523 0.76 GPR3 (0.40) GPR3KIF11CES1GAAALOX15
SCHEMBL407097 0.76 GPR3 (0.40) GPR3KIF11CES1GAAALOX15
SCHEMBL1066922 0.76 GPR3 (0.40) GPR3KIF11CES1GAAALOX15
SCHEMBL1068998 0.76 GPR3 (0.37) GPR3KIF11CES1GAAALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114213353-A Aryl-oxazole-oxazoline compound and preparation method and application thereof 贵州大学 2022-03-22 CN claimed
US-20060183780-A1 Pyrazole compounds useful in the treatment of inflammation BIOLIPOX AB (SE) 2006-08-17 US claimed
EP-1603897-A1 PYRAZOLE COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2005-12-14 EP claimed
WO-2004080999-A1 PYRAZOLE COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2004-09-23 WO claimed
CN-1400970-A Substituted arylpyrazines NEUROGEN CORP (US) 2003-03-05 CN claimed
US-5556873-A AGRICULTURAL PESTICIDES RHONE-POULENC INC. (US) 1996-09-17 US claimed
US-5236938-A Pesticidal 1-aryl-5-(substituted alkylideneimino)pyrazoles RHONE-POULENC INC. (US) 1993-08-17 US claimed
US-11964953-B2 Substituted aminothiazoles as DGKzeta inhibitors for immune activation BAYER AKTIENGESELLSCHAFT (DE) 2024-04-23 US disclosed
CN-113347883-B Pesticidal compositions and methods 科迪华农业科技有限责任公司 2023-11-03 CN disclosed
CN-114213353-A Aryl-oxazole-oxazoline compound and preparation method and application thereof 贵州大学 2022-03-22 CN disclosed
CN-113347883-A Pesticidal compositions and methods 科迪华农业科技有限责任公司 2021-09-03 CN disclosed
EP-3045450-B1 INTERMEDIATE COMPOUNDS IN PROCESSES FOR PRODUCING PYRIDAZINONE COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2018-02-07 EP disclosed
EP-3045450-A1 INTERMEDIATE COMPOUNDS IN A PROCESS FOR PRODUCING PYRIDAZINONE COMPOUNDS SUMITOMO CHEMICAL CO., LTD. (JP) 2016-07-20 EP disclosed
EP-0511845-B1 Pesticidal 1-aryl-5-(substituted alkylideneimino)-pyrazoles AVENTIS CROPSCIENCE SA (FR) 2001-10-31 EP disclosed
US-6046195-A Spiro-azacyclic derivatives, their preparation and their use as tachykinin antagonists MERCK SHARP & DOHME LTD. (GB) 2000-04-04 US disclosed
US-5556873-A AGRICULTURAL PESTICIDES RHONE-POULENC INC. (US) 1996-09-17 US disclosed
US-5360910-A Pesticidal 1-aryl-5-(substituted alkylideneimino)pyrazoles RHONE-POULENC AG COMPANY (US) 1994-11-01 US disclosed
US-5321040-A Pesticidal 1-aryl-5-(substituted N-cinnamylideneimino) pyrazoles RHONE-POULENC INC. (US) 1994-06-14 US disclosed
US-5236938-A Pesticidal 1-aryl-5-(substituted alkylideneimino)pyrazoles RHONE-POULENC INC. (US) 1993-08-17 US disclosed
EP-0511845-A1 Pesticidal 1-aryl-5-(substituted alkylideneimino)-pyrazoles RHONE-POULENC AGROCHIMIE (FR) 1992-11-04 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-11964953-B2 Substituted aminothiazoles as DGKzeta inhibitors for immune activation DGKZ, DGKA, DGKG GPR3 643/4885KIF11 3976/4885CES1 1403/4885
US-20060183780-A1 Pyrazole compounds useful in the treatment of inflammation ALOX15, ALOX12, ALOX15B GPR3 1451/4885KIF11 4865/4885CES1 276/4885

“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.