SCHEMBL1901245

SCHEMBL1901245

COC(=O)c1cc(OC)nnc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 4/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 1/20 0.44
GAA P10253 2/20 0.43
HPGD P15428 2/20 0.42
POLB P06746 2/20 0.40
TSHR P16473 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
GLA P06280 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
NNMT P40261 2/20 0.38
PDK2 Q15119 1/20 0.38
PDK4 Q16654 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
SCHEMBL1905326 0.83 TDP1 (0.53) ALDH1A1KDM4EL3MBTL1KMT2AHPGD
SCHEMBL30539297 0.83 TDP1 (0.53) ALDH1A1KDM4EL3MBTL1KMT2AHPGD
SCHEMBL15633425 0.80 KDM4E (0.46) ALDH1A1KDM4EL3MBTL1KMT2AGAA
SCHEMBL25280585 0.78 GAA (0.38) ALDH1A1KDM4EKMT2AGAAHPGD
SCHEMBL19330152 0.76 ALDH1A1 (0.55) ALDH1A1KDM4EL3MBTL1KMT2AGAA
SCHEMBL30570813 0.76 NNMT (0.54) ALDH1A1KDM4EL3MBTL1KMT2AGAA
SCHEMBL26118926 0.76 NNMT (0.54) ALDH1A1KDM4EL3MBTL1KMT2AGAA
SCHEMBL16475201 0.75 L3MBTL1 (0.49) ALDH1A1KDM4EL3MBTL1KMT2AHPGD
SCHEMBL31600807 0.75 GAA (0.41) ALDH1A1KDM4EGAAHPGDPOLB
SCHEMBL6560149 0.74 KDM4E (0.51) ALDH1A1KDM4EL3MBTL1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104710408-A Chiral cis-imidazolines HOFFMANN LA ROCHE 2015-06-17 CN disclosed
US-8513239-B2 Chiral cis-imidazolines HOFFMANN-LA ROCHE INC. (US) 2013-08-20 US disclosed
EP-2203437-B1 CHIRAL CIS-IMIDAZOLINES HOFFMANN LA ROCHE (CH) 2012-11-07 EP disclosed
EP-2325180-A1 Chiral CIS-imidazolines F. Hoffmann-La Roche AG (CH) 2011-05-25 EP disclosed
CN-101821251-A Chiral cis-imidazolines HOFFMANN LA ROCHE 2010-09-01 CN disclosed
EP-2203437-A1 CHIRAL CIS-IMIDAZOLINES F. Hoffmann-Roche AG (CH) 2010-07-07 EP disclosed
US-20090111789-A1 CHIRAL CIS-IMIDAZOLINES HOFFMANN-LA ROCHE, INC. 2009-04-30 US disclosed
WO-2009047161-A1 CHIRAL CIS-IMIDAZOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-04-16 WO 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-20090111789-A1 CHIRAL CIS-IMIDAZOLINES FOXM1, CCNE1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 ALDH1A1 2824/4885KDM4E 3020/4885L3MBTL1 688/4885

“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.