SCHEMBL5962757

SCHEMBL5962757

COc1cc(C(=O)N2CCCC2CO)c(NC(=O)OCC(Cl)(Cl)Cl)c(OC)c1C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.39
TRPV1 Q8NER1 2/20 0.38
HCRTR1 O43613 6/20 0.37
HCRTR2 O43614 6/20 0.37
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
FKBP1A P62942 2/20 0.35

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
SCHEMBL5966275 0.93 KDM4E (0.41) ROCK2TRPV1HCRTR1HCRTR2TLR8
SCHEMBL5966242 0.87 ROCK2 (0.39) ROCK2TRPV1HCRTR1HCRTR2RAB9A
SCHEMBL5962886 0.85 SPHK2 (0.46) HCRTR1HCRTR2ALDH1A1FKBP1A
SCHEMBL4408525 0.84 ROCK2 (0.42) ROCK2TRPV1HCRTR1HCRTR2ALDH1A1
SCHEMBL13594815 0.84 ROCK2 (0.42) ROCK2TRPV1HCRTR1HCRTR2ALDH1A1
SCHEMBL5962759 0.84 ROCK2 (0.39) ROCK2TRPV1HCRTR1HCRTR2RAB9A
SCHEMBL5963114 0.83 LMNA (0.43) ROCK2TRPV1HCRTR1HCRTR2RAB9A
SCHEMBL5962867 0.80 ROCK2 (0.40) ROCK2TLR8TLR7ABCG2FKBP1A
SCHEMBL5966272 0.80 KDM4E (0.40) ROCK2TRPV1HCRTR1HCRTR2RAB9A
SCHEMBL5962832 0.77 ROCK2 (0.46) ROCK2TRPV1HCRTR1HCRTR2RAB9A

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 ROCK2 2527/4885TRPV1 3319/4885HCRTR1 76/4885

“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.