SCHEMBL5962927

SCHEMBL5962927

COc1cc(C(=O)N2CCCC2CO)c(N)c(OC)c1OC

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ROCK2 O75116 1/20 0.48
TRPV1 Q8NER1 2/20 0.46
HCRTR1 O43613 4/20 0.43
HCRTR2 O43614 4/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
TLR8 Q9NR97 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
DRD3 P35462 1/20 0.41

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
SCHEMBL5962832 0.91 ROCK2 (0.46) POLBROCK2TRPV1HCRTR1HCRTR2
SCHEMBL5962819 0.87 SPHK2 (0.54) KDM4EROCK2TRPV1HCRTR1HCRTR2
SCHEMBL5962824 0.84 PKM (0.53) ROCK2TRPV1HCRTR1HCRTR2ABCG2
SCHEMBL16486652 0.81 ROCK2 (0.48) POLBKDM4EROCK2TRPV1HCRTR1
SCHEMBL16486649 0.81 ROCK2 (0.48) POLBKDM4EROCK2TRPV1HCRTR1
SCHEMBL5962884 0.80 LMNA (0.52) POLBROCK2TRPV1HCRTR1HCRTR2
SCHEMBL23482771 0.78 ROCK2 (0.45) POLBKDM4EROCK2TRPV1HCRTR1
SCHEMBL30192184 0.78 ROCK2 (0.45) POLBKDM4EROCK2TRPV1HCRTR1
SCHEMBL4404853 0.77 ROCK2 (0.46) POLBROCK2TRPV1HCRTR1HCRTR2
SCHEMBL6861666 0.77 LMNA (0.61) ROCK2TRPV1HCRTR1HCRTR2LMNA

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 POLB 720/4885KDM4E 2997/4885ROCK2 2527/4885

“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.