SCHEMBL5962867

SCHEMBL5962867

COc1cc(NC(=O)OCC(Cl)(Cl)Cl)c(C(=O)N2CCCC2CO)c(OC)c1OC

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.40
FKBP1A P62942 4/20 0.37
KMT2A Q03164 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
CHRM3 P20309 1/20 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
SCHEMBL4408525 0.86 ROCK2 (0.42) ROCK2KMT2ATLR8TLR7CHRM3
SCHEMBL13594815 0.86 ROCK2 (0.42) ROCK2KMT2ATLR8TLR7CHRM3
SCHEMBL5966275 0.85 KDM4E (0.41) ROCK2FKBP1ATLR8TLR7ABCG2
SCHEMBL5962757 0.80 ROCK2 (0.39) ROCK2FKBP1ATLR8TLR7ABCG2
SCHEMBL5963114 0.77 LMNA (0.43) ROCK2KMT2A
SCHEMBL5962886 0.76 SPHK2 (0.46) FKBP1AKMT2A
SCHEMBL5966271 0.75 SPHK2 (0.38) CHRM3
SCHEMBL5962712 0.75 CHRM3 (0.39) CHRM3
SCHEMBL14071814 0.74 LRRK2 (0.39) FKBP1AKMT2A
SCHEMBL20830995 0.74 SMN1; SMN2 (0.36) ROCK2KMT2ATLR8TLR7

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 ROCK2 2527/4885FKBP1A 763/4885KMT2A 2390/4885

“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.