SCHEMBL4886662

SCHEMBL4886662

COc1cccc(CNC=O)c1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
KDM4E B2RXH2 5/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
ALDH1A1 P00352 4/20 0.53
POLB P06746 1/20 0.52
GAA P10253 1/20 0.52
TSHR P16473 1/20 0.52
CRHBP P24387 1/20 0.52
MAPK1 P28482 1/20 0.52
CRHR2 Q13324 1/20 0.52
ATM Q13315 1/20 0.52
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HDAC3 O15379 1/20 0.51

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
SCHEMBL350875 0.84 ALDH1A1 (0.58) KMT2AMEN1KDM4ECYP3A4CYP2D6
SCHEMBL7000552 0.84 KDM4E (0.69) KMT2AMEN1KDM4EL3MBTL1CYP1A2
SCHEMBL13801208 0.84 CA12 (0.61) KMT2AMEN1KDM4EL3MBTL1CYP1A2
SCHEMBL5542221 0.80 KMT2A (0.51) KMT2AMEN1KDM4EL3MBTL1CYP1A2
SCHEMBL31711441 0.79 KDM4E (0.60) KMT2AMEN1KDM4EL3MBTL1CYP1A2
SCHEMBL29875218 0.79 ALDH1A1 (0.58) KMT2AMEN1KDM4EL3MBTL1CYP1A2
SCHEMBL680393 0.79 ALDH1A1 (0.58) KMT2AMEN1KDM4EL3MBTL1CYP1A2
SCHEMBL4883767 0.79 HDAC3 (0.47) KDM4ECYP3A4CYP2D6ALDH1A1TSHR
SCHEMBL7333236 0.78 CA12 (0.54) KMT2AMEN1KDM4EL3MBTL1CYP1A2
SCHEMBL18901363 0.77 ALDH1A1 (0.56) KMT2AMEN1KDM4EL3MBTL1CYP1A2

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
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-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES ICAGEN, INC. (US) 2008-03-13 US disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-7223782-B2 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2007-05-29 US disclosed
EP-1322608-B1 DELTA1-PYRROLINES USED AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2007-05-02 EP 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
US-20050049237-A1 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2005-03-03 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 (3 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 KMT2A 4267/4885MEN1 3295/4885KDM4E 4854/4885
US-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES SCN3A, TRPV3, HCN3 KMT2A 2659/4885MEN1 4543/4885KDM4E 2869/4885
US-20050049237-A1 Pyrazole-amides and -sulfonamides SCN3A, TRPV3, HCN3 KMT2A 2659/4885MEN1 4543/4885KDM4E 2869/4885

“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.