SCHEMBL4076550

SCHEMBL4076550

CC(O[C]=O)c1ccccc1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
ALDH1A1 P00352 6/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CASR P41180 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
GAA P10253 3/20 0.35
POLB P06746 1/20 0.35
AR P10275 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
USP8 P40818 1/20 0.34
USP7 Q93009 1/20 0.34
KDM4E B2RXH2 3/20 0.33
KCNA5 P22460 1/20 0.33
IMPDH2 P12268 1/20 0.33
IMPDH1 P20839 1/20 0.33
HPGD P15428 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
SCHEMBL1847342 0.79 L3MBTL1 (0.43) TSHRALDH1A1L3MBTL1MAPK1SMN1; SMN2
SCHEMBL8390663 0.76 TSHR (0.46) TSHRALDH1A1L3MBTL1MAPK1SMN1; SMN2
SCHEMBL514813 0.76 L3MBTL1 (0.41) TSHRALDH1A1L3MBTL1MAPK1SMN1; SMN2
SCHEMBL254017 0.76 TSHR (0.50) TSHRALDH1A1L3MBTL1MAPK1SMN1; SMN2
SCHEMBL29835035 0.76 TSHR (0.50) TSHRALDH1A1L3MBTL1MAPK1SMN1; SMN2
SCHEMBL6394395 0.75 ESR1 (0.48) TSHRALDH1A1LMNAGAAPOLB
Ethane SCHEMBL2154170 0.74 TSHR (0.48) TSHRALDH1A1L3MBTL1MAPK1SMN1; SMN2
SCHEMBL20356776 0.74 TSHR (0.48) TSHRALDH1A1L3MBTL1MAPK1SMN1; SMN2
SCHEMBL8595323 0.74 TSHR (0.49) TSHRALDH1A1L3MBTL1MAPK1SMN1; SMN2
SCHEMBL9210107 0.73 GABRA1 (0.54) TSHRALDH1A1L3MBTL1SMN1; SMN2LMNA

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
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
WO-2009117036-A2 BIOACTIVE MOLECULES FROM CO-CULTIVATION OF MICROBES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-09-24 WO disclosed
EP-2091928-A2 3-(2-ACYLAMINO-1-HYDROXYETHYL)- MORPHOLINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2009-08-26 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
EP-1740575-A2 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2007-01-10 EP disclosed
EP-1740573-A1 AMIDES AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2007-01-10 EP disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
WO-2006034093-A2 3- (2-ACYLAMINO-1-HYDROXYETHYL)- MORPHOLINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS ELLI LILLY AND COMPANY (US) 2006-03-30 WO disclosed
WO-2005108391-A1 AMIDES AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2005-11-17 WO disclosed
WO-2005108358-A2 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2005-11-17 WO 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 TSHR 319/4885ALDH1A1 355/4885L3MBTL1 1931/4885

“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.