SCHEMBL4953233

SCHEMBL4953233

COc1ccc2c(c1OC)C(=O)N1CC(O)C[C@H]1C(=O)N2COCC[Si](C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.33
GFER P55789 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 6/20 0.32
MAPT P10636 6/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
EGFR P00533 1/20 0.31
IGF1R P08069 1/20 0.31
SRC P12931 1/20 0.31
FLT4 P35916 1/20 0.31
KDR P35968 1/20 0.31
FLT3 P36888 1/20 0.31
EPHB4 P54760 1/20 0.31
TEK Q02763 1/20 0.31
NPC1 O15118 2/20 0.31

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
SCHEMBL1121807 1.00 KDM4E (0.35) KDM4EL3MBTL1MEN1GFERKMT2A
SCHEMBL5962742 0.85
SCHEMBL1121742 0.85
SCHEMBL1122478 0.83 ALDH1A1 (0.35) KDM4EL3MBTL1MEN1GFERKMT2A
SCHEMBL12856841 0.82 KDM4E (0.35) KDM4EL3MBTL1ALDH1A1EGFRIGF1R
SCHEMBL29778203 0.81 KDM4E (0.36) KDM4EL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL17919264 0.80 KDM4E (0.33) KDM4EL3MBTL1
SCHEMBL14821861 0.79 KDM4E (0.34) KDM4EL3MBTL1ALDH1A1
SCHEMBL10050280 0.79 KDM4E (0.34) KDM4EL3MBTL1ALDH1A1
SCHEMBL17173790 0.79 KDM4E (0.34) KDM4EL3MBTL1ALDH1A1

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
US-7407951-B2 Pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2008-08-05 US disclosed
US-7067511-B2 Pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2006-06-27 US disclosed
US-20060128693-A1 Pyrrolobenzodiazepines MEDIMMUNE LIMITED (GB) 2006-06-15 US disclosed
US-7049311-B1 Pyrrolbenzodiazepines SPIROGEN LIMITED (GB) 2006-05-23 US disclosed
EP-1109812-B1 PYRROLOBENZODIAZEPINES SPIROGEN LTD (GB) 2005-05-04 EP disclosed
EP-1413582-A1 Dimeric pyrrolobenzodiazepines Spirogen Limited (GB) 2004-04-28 EP disclosed
US-20030120069-A1 Pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2003-06-26 US disclosed
EP-1193270-A2 Pyrrolobenzodiazepines Spirogen Limited (GB) 2002-04-03 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 (2 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-20030120069-A1 Pyrrolobenzodiazepines CNR1, CBX2, CNR2 KDM4E 2997/4885L3MBTL1 2514/4885MEN1 3894/4885
US-20060128693-A1 Pyrrolobenzodiazepines CYP2C19, CYP3A7, CYP2E1 KDM4E 545/4885L3MBTL1 1599/4885MEN1 3258/4885

“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.