SCHEMBL4404853

SCHEMBL4404853

COc1cc(N=C=O)c(C(=O)N2CCCC2CO)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.46
HCRTR1 O43613 9/20 0.44
HCRTR2 O43614 9/20 0.44
TRPV1 Q8NER1 2/20 0.44
TLR8 Q9NR97 1/20 0.43
TLR7 Q9NYK1 1/20 0.43
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SPHK2 Q9NRA0 1/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL14081843 0.89 HCRTR1 (0.39) ROCK2HCRTR1HCRTR2TRPV1TLR8
SCHEMBL13594853 0.87 HCRTR1 (0.42) ROCK2HCRTR1HCRTR2TLR8TLR7
SCHEMBL14071788 0.84 HCRTR1 (0.41) ROCK2HCRTR1HCRTR2TLR8TLR7
SCHEMBL4411420 0.84 HCRTR1 (0.41) ROCK2HCRTR1HCRTR2TLR8TLR7
SCHEMBL4411423 0.79 MEN1 (0.34) ROCK2HCRTR1HCRTR2LMNAMEN1
SCHEMBL14071842 0.79 HCRTR1 (0.40) ROCK2HCRTR1HCRTR2TLR8TLR7
SCHEMBL14071838 0.79 HCRTR1 (0.40) ROCK2HCRTR1HCRTR2TLR8TLR7
SCHEMBL4406340 0.79 HCRTR1 (0.40) ROCK2HCRTR1HCRTR2TLR8TLR7
SCHEMBL14477477 0.78 HCRTR1 (0.39) HCRTR1HCRTR2
SCHEMBL5962927 0.77 POLB (0.48) ROCK2HCRTR1HCRTR2TRPV1TLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1664049-B1 SYNTHESIS OF PROTECTED PYRROLOBENZODIAZEPINES SPIROGEN LTD (GB) 2009-12-23 EP disclosed
US-7429658-B2 Synthesis of protected pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2008-09-30 US disclosed
US-20060264622-A1 Synthesis of protected pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2006-11-23 US disclosed
EP-1664049-A1 SYNTHESIS OF PROTECTED PYRROLOBENZODIAZEPINES Spirogen Limited (GB) 2006-06-07 EP disclosed
WO-2005023814-A1 SYNTHESIS OF PROTECTED PYRROLOBENZODIAZEPINES SPIROGEN LIMITED (GB) 2005-03-17 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-20060264622-A1 Synthesis of protected pyrrolobenzodiazepines SBDS, DRD2, GRIN2D ROCK2 3724/4885HCRTR1 1486/4885HCRTR2 860/4885

“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.