SCHEMBL5962712

SCHEMBL5962712

Nc1ccc(C(=O)N2CCCC2CO)c(NC(=O)OCC(Cl)(Cl)Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 8/20 0.39
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
TRPV1 Q8NER1 2/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
SPHK2 Q9NRA0 1/20 0.36
EPHX2 P34913 1/20 0.36
PDE10A Q9Y233 1/20 0.36
PIK3CA P42336 2/20 0.35
MTOR P42345 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
SCHEMBL5962901 0.86 CHRM3 (0.44) CHRM3POLBHTTTRPV1
SCHEMBL13594815 0.83 ROCK2 (0.42) CHRM3KDM4EHTTTRPV1
SCHEMBL4408525 0.83 ROCK2 (0.42) CHRM3KDM4EHTTTRPV1
SCHEMBL5966271 0.83 SPHK2 (0.38) CHRM3KDM4EGAAHTTTRPV1
SCHEMBL5962846 0.80 EPHX2 (0.44) CHRM3EPHX2
SCHEMBL5963063 0.77 LMNA (0.38) CHRM3POLBTRPV1SPHK2EPHX2
SCHEMBL5963114 0.76 LMNA (0.43) POLBTRPV1SPHK2
SCHEMBL5962867 0.75 ROCK2 (0.40) CHRM3
SCHEMBL5966275 0.75 KDM4E (0.41) POLBKDM4ETRPV1
SCHEMBL5962757 0.73 ROCK2 (0.39) TRPV1

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 CHRM3 99/4885POLB 720/4885KDM4E 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.