SCHEMBL2074096

SCHEMBL2074096

O=C(CCC(F)(F)F)c1ccc(F)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.64
RAB9A P51151 1/20 0.64
HTR7 P34969 1/20 0.56
PLOD2 O00469 1/20 0.56
PTPN1 P18031 1/20 0.53
HSD11B1 P28845 1/20 0.47
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
CTNNB1 P35222 1/20 0.46
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KMT2A Q03164 2/20 0.45
PAX8 Q06710 1/20 0.45
TP53 P04637 1/20 0.45
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL20134991 0.84 TP53 (0.48) NPC1RAB9AKMT2ATP53LMNA
SCHEMBL20474745 0.84 NPC1 (0.61) NPC1RAB9APTPN1ALDH1A1L3MBTL1
SCHEMBL26045299 0.83 NPC1 (0.58) NPC1RAB9AHTR7PLOD2PTPN1
SCHEMBL26584242 0.83 NPC1 (0.82) NPC1RAB9AHTR7PLOD2PTPN1
SCHEMBL28417256 0.82 KMT2A (0.58) NPC1RAB9ACES2CES1CTNNB1
SCHEMBL2274229 0.82 GSK3B (0.53) NPC1RAB9APTPN1HSD11B1CES2
SCHEMBL22624012 0.82 NPC1 (0.62) NPC1RAB9AHTR7PLOD2PTPN1
SCHEMBL30144823 0.82 MMP1 (0.62) PTPN1HSD11B1CES2CES1ALDH1A1
SCHEMBL28422432 0.82 GSK3B (0.53) NPC1RAB9AHSD11B1CES2CES1
SCHEMBL2201165 0.82 TDP1 (0.57) NPC1RAB9APTPN1HSD11B1CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109810573-A Inorganic nano material prints ink and its preparation method and application TCL集团股份有限公司 2019-05-28 CN claimed
US-11773070-B2 Dihydrooxadiazinones BAYER AKTIENGESELLSCHAFT (DE) 2023-10-03 US disclosed
EP-3661517-B1 DIHYDROOXADIAZINONES BAYER AG (DE) 2023-09-13 EP disclosed
US-20230017200-A1 DIHYDROOXADIAZINONES BAYER AKTIENGESELLSCHAFT (DE) 2023-01-19 US disclosed
US-20220396554-A1 DIHYDROOXADIAZINONES BAYER AKTIENGESELLSCHAFT (DE) 2022-12-15 US disclosed
US-20200369633-A1 DIHYDROOXADIAZINONES BAYER AKTIENGESELLSCHAFT (DE) 2020-11-26 US disclosed
WO-2020157188-A1 DIHYDROOXADIAZINONES FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES BAYER AKTIENGESELLSCHAFT (DE) 2020-08-06 WO disclosed
EP-3661517-A1 DIHYDROOXADIAZINONES Bayer Aktiengesellschaft (DE) 2020-06-10 EP disclosed
CN-108707067-B Preparation method of 1-aryl-4, 4, 4-trifluoro-1-butanone compound 大连理工大学 2020-06-02 CN disclosed
CN-111212647-A Dihydroxadiazinones 拜耳股份有限公司 2020-05-29 CN disclosed
WO-2019025562-A1 DIHYDROOXADIAZINONES BAYER AKTIENGESELLSCHAFT (DE) 2019-02-07 WO disclosed
US-7863444-B2 4-aminopyrrolopyrimidines as kinase inhibitors ABBOTT LABORATORIES (US) 2011-01-04 US disclosed
CN-1326457-A 4-aminopyrrolopyrimidines as kinase inhibitors BASF AG (DE) 2001-12-12 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 (4 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-20200369633-A1 DIHYDROOXADIAZINONES CCND2, CCNT2, CCND1 NPC1 2167/4885RAB9A 2129/4885HTR7 3858/4885
US-11773070-B2 Dihydrooxadiazinones CCND2, DPYD, DHPS NPC1 1710/4885RAB9A 2105/4885HTR7 3926/4885
US-20220396554-A1 DIHYDROOXADIAZINONES CCND2, DPYD, DHPS NPC1 1710/4885RAB9A 2105/4885HTR7 3926/4885
US-20230017200-A1 DIHYDROOXADIAZINONES CCND2, CCNT2, CCND1 NPC1 2167/4885RAB9A 2129/4885HTR7 3858/4885

“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.