SCHEMBL5962794

SCHEMBL5962794

COc1cc(C(=O)N2CCCC2CO)c([N+](=O)[O-])c(OC)c1OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.51
HCRTR1 O43613 4/20 0.44
HCRTR2 O43614 4/20 0.44
PKM P14618 1/20 0.43
CTSV O60911 1/20 0.42
CTSL P07711 1/20 0.42
TRPV1 Q8NER1 2/20 0.41
LMNA P02545 2/20 0.41
ROCK2 O75116 2/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
KDM4E B2RXH2 1/20 0.39
SCN9A Q15858 1/20 0.39

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
SCHEMBL7826386 0.93 SPHK2 (0.43) SPHK2HCRTR1HCRTR2PKMCTSV
SCHEMBL5962824 0.88 PKM (0.53) HCRTR1HCRTR2PKMTRPV1LMNA
SCHEMBL5962819 0.88 SPHK2 (0.54) SPHK2HCRTR1HCRTR2TRPV1ROCK2
SCHEMBL1132046 0.84 SPHK2 (0.52) SPHK2HCRTR1HCRTR2CTSVCTSL
SCHEMBL31235771 0.84 SPHK2 (0.52) SPHK2HCRTR1HCRTR2CTSVCTSL
SCHEMBL23451367 0.84 SPHK2 (0.52) SPHK2HCRTR1HCRTR2CTSVCTSL
SCHEMBL23451365 0.84 SPHK2 (0.52) SPHK2HCRTR1HCRTR2CTSVCTSL
SCHEMBL13784960 0.84 SPHK2 (0.52) SPHK2HCRTR1HCRTR2CTSVCTSL
SCHEMBL5962934 0.82 TRPV1 (0.44) HCRTR1HCRTR2PKMTRPV1LMNA
SCHEMBL20975260 0.82 SPHK2 (0.49) SPHK2HCRTR1HCRTR2CTSVCTSL

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 SPHK2 4542/4885HCRTR1 76/4885HCRTR2 23/4885

“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.