SCHEMBL5962841

SCHEMBL5962841

COC(=O)c1cc(OC)c(O)c(OC)c1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 5/20 0.48
POLB P06746 5/20 0.48
LMNA P02545 1/20 0.46
USP2 O75604 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPT P10636 3/20 0.42
ERN1 O75460 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.40
GAA P10253 2/20 0.40
MEN1 O00255 1/20 0.40
COMT P21964 1/20 0.40
HTT P42858 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
SCHEMBL2907457 0.88 PKM (0.75) PKMSMN1; SMN2KDM4EPOLBLMNA
SCHEMBL30662204 0.87 PKM (0.60) PKMSMN1; SMN2KDM4EPOLBLMNA
SCHEMBL23549385 0.87 PKM (0.60) PKMSMN1; SMN2KDM4EPOLBLMNA
SCHEMBL5962801 0.85 PKM (0.58) PKMSMN1; SMN2KDM4EPOLBLMNA
SCHEMBL23412396 0.84 PKM (0.57) PKMSMN1; SMN2KDM4EPOLBLMNA
SCHEMBL23411995 0.81 PKM (0.47) PKMSMN1; SMN2KDM4EPOLBLMNA
SCHEMBL3471733 0.81 PKM (0.60) PKMSMN1; SMN2KDM4EPOLBLMNA
SCHEMBL12082273 0.80 SMN1; SMN2 (0.48) PKMSMN1; SMN2KDM4EPOLBLMNA
SCHEMBL8874751 0.79 SMN1; SMN2 (0.62) PKMSMN1; SMN2KDM4EPOLBLMNA
SCHEMBL28414234 0.79 PKM (0.48) PKMSMN1; SMN2KDM4EPOLBLMNA

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 6 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

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 3354/4885SMN1; SMN2 2936/4885KDM4E 2997/4885

“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.