SCHEMBL5544075

SCHEMBL5544075

O=CNCCc1ccccc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.48
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
IDO1 P14902 2/20 0.43
DAO P14920 1/20 0.43
NR3C2 P08235 1/20 0.42
SCN8A Q9UQD0 1/20 0.40
KMT2A Q03164 1/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
EPHX2 P34913 1/20 0.38
POLB P06746 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 1/20 0.38
POLQ O75417 1/20 0.38

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
SCHEMBL5540871 0.90 HDAC1 (0.48) CNR1HDAC1HDAC8IDO1DAO
SCHEMBL8763620 0.83 ADH1B (0.36) CNR1KMT2AMAPTALDH1A1KDM4E
SCHEMBL3129448 0.82 ADH1B (0.47) HDAC1IDO1SCN8AKMT2AALDH1A1
SCHEMBL8763407 0.81 ADH1B (0.46) KMT2AALDH1A1
SCHEMBL5540185 0.80 IDO1 (0.52) CNR1HDAC1HDAC8IDO1DAO
SCHEMBL23022217 0.78 KDM1A (0.35) CNR1IDO1DAO
SCHEMBL1508252 0.77 HDAC1 (0.48) CNR1HDAC1HDAC8IDO1DAO
SCHEMBL17329111 0.77 IDO1 (0.59) CNR1HDAC1HDAC8IDO1DAO
SCHEMBL2859013 0.77 TAAR1 (0.58) CNR1KMT2AEPHX2
SCHEMBL13840655 0.77 TAAR1 (0.58) CNR1HDAC1HDAC8IDO1DAO

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 5 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
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 CNR1 857/4885HDAC1 322/4885HDAC8 993/4885

“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.