SCHEMBL5542918

SCHEMBL5542918

CCOC(=O)c1ccccc1N[C]=O

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.62
KDM4E B2RXH2 7/20 0.58
HSD17B10 Q99714 4/20 0.58
LMNA P02545 4/20 0.57
CDC25B P30305 3/20 0.57
CDC25A P30304 1/20 0.57
CDC25C P30307 1/20 0.57
KMT2A Q03164 1/20 0.57
ALDH1A1 P00352 5/20 0.56
NPSR1 Q6W5P4 2/20 0.56
TP53 P04637 1/20 0.56
HTT P42858 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
MAPK10 P53779 1/20 0.55
HPGD P15428 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.53

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
SCHEMBL5540383 0.88 ALDH1A1 (0.65) TSHRKDM4EHSD17B10LMNACDC25B
SCHEMBL3944845 0.85 TSHR (0.69) TSHRKDM4EHSD17B10LMNACDC25B
Hydrochloric Acid SCHEMBL9150908 0.83 TSHR (0.67) TSHRKDM4EHSD17B10LMNACDC25B
SCHEMBL2442264 0.83 KDM4E (0.65) TSHRKDM4EHSD17B10LMNAKMT2A
SCHEMBL11162151 0.83 TSHR (0.61) TSHRKDM4EHSD17B10LMNACDC25B
SCHEMBL619175 0.81 TSHR (0.69) TSHRKDM4EHSD17B10LMNACDC25B
SCHEMBL1500584 0.81 TSHR (0.69) TSHRKDM4EHSD17B10LMNACDC25B
SCHEMBL2439118 0.81 ALDH1A1 (0.59) TSHRKDM4ELMNAKMT2AALDH1A1
SCHEMBL1460556 0.80 TSHR (0.67) TSHRKDM4EHSD17B10LMNACDC25B
Hydrochloric Acid SCHEMBL6379948 0.80 TSHR (0.67) TSHRKDM4EHSD17B10LMNACDC25B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP claimed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US claimed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO claimed
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 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
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP disclosed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US disclosed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO disclosed
WO-1999047511-A1 INDOLE DERIVATIVES AS 5-HT2A RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 1999-09-23 WO disclosed
US-4414225-A Azepine derivatives and their anti-thrombotic compositions and methods DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1983-11-08 US 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 TSHR 319/4885KDM4E 4854/4885HSD17B10 467/4885

“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.