SCHEMBL5544765

SCHEMBL5544765

CC(C)(C)c1ccc(N(C=O)Cc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.48
RAB9A P51151 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PTGES O14684 1/20 0.44
ALOX5 P09917 1/20 0.44
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
LMNA P02545 1/20 0.42
NR1H2 P55055 3/20 0.41
NR1H3 Q13133 3/20 0.41
CNR2 P34972 1/20 0.40
NPC1 O15118 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
RIPK1 Q13546 2/20 0.40
TSHR P16473 2/20 0.40
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL12952779 0.91 PTGES (0.55) NR1H4RAB9AMEN1KMT2APTGES
SCHEMBL2096288 0.84 MTOR (0.46) MEN1KMT2ATMEM97SIGMAR1NR1H2
SCHEMBL305634 0.82 TSHR (0.50) RAB9ALMNACNR2NPC1TSHR
SCHEMBL2093213 0.81 CYP2C19 (0.59) LMNACNR2TSHRALDH1A1CYP2C19
SCHEMBL5541695 0.81 TP53 (0.50) MEN1KMT2ALMNACNR2TSHR
SCHEMBL16863769 0.79 ALDH1A1 (0.51) RAB9AMEN1KMT2ALMNACNR2
SCHEMBL2085586 0.78 CNR2 (0.47) CNR2L3MBTL1
SCHEMBL2091210 0.78 TSHR (0.43) TMEM97SIGMAR1CNR2TSHRALDH1A1
SCHEMBL2094150 0.78 CNR2 (0.47) MEN1KMT2ATMEM97SIGMAR1CNR2
SCHEMBL2096018 0.78 HTR2A (0.40) MEN1KMT2ALMNACNR2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111187176-B Method for preparing N-vinyl amide compound under catalysis of copper salt 浙江工业大学 2022-11-25 CN claimed
CN-111187176-A Method for preparing N-vinyl amide compound under catalysis of copper salt 浙江工业大学 2020-05-22 CN claimed
CN-111187176-B Method for preparing N-vinyl amide compound under catalysis of copper salt 浙江工业大学 2022-11-25 CN disclosed
CN-111187176-A Method for preparing N-vinyl amide compound under catalysis of copper salt 浙江工业大学 2020-05-22 CN disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 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 (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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 NR1H4 171/4885RAB9A 2824/4885MEN1 3295/4885

“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.