SCHEMBL5962976

SCHEMBL5962976

COc1cc(C(=O)O)c([N+](=O)[O-])c(OC)c1OC(C)=O

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.81
LMNA P02545 1/20 0.49
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 1/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
TPMT P51580 1/20 0.40
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
KDM4E B2RXH2 3/20 0.39
POLB P06746 2/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL23290095 0.90 PKM (0.65) PKMLMNAALDH1A1SMN1; SMN2GRIN2D
SCHEMBL890810 0.90 PKM (1.00) PKMLMNAALDH1A1SMN1; SMN2TPMT
SCHEMBL5966224 0.82 PKM (0.79) PKMLMNAALDH1A1SMN1; SMN2TPMT
SCHEMBL2681693 0.81 PKM (0.78) PKMLMNAALDH1A1SMN1; SMN2TPMT
SCHEMBL667424 0.81 PKM (0.78) PKMLMNAALDH1A1SMN1; SMN2TPMT
SCHEMBL7830300 0.80 PKM (0.75) PKMLMNAALDH1A1SMN1; SMN2TPMT
SCHEMBL16689291 0.80 PKM (0.76) PKMLMNAALDH1A1SMN1; SMN2GRIN2D
SCHEMBL16689288 0.80 PKM (0.76) PKMLMNAALDH1A1SMN1; SMN2GRIN2D
SCHEMBL28497490 0.80 PKM (0.76) PKMLMNAALDH1A1SMN1; SMN2GRIN2D
SCHEMBL25416361 0.80 PKM (0.76) PKMLMNAALDH1A1SMN1; SMN2TPMT

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-7067511-B2 Pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2006-06-27 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
EP-1109812-A2 PYRROLOBENZODIAZEPINES Spirogen Limited (GB) 2001-06-27 EP disclosed
WO-2000012508-A2 PYRROLBENZODIAZEPINES SPIROGEN LIMITED (GB) 2000-03-09 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-20030120069-A1 Pyrrolobenzodiazepines CNR1, CBX2, CNR2 PKM 3354/4885LMNA 1772/4885ALDH1A1 4469/4885

“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.