SCHEMBL5962774

SCHEMBL5962774

COC(=O)c1cc(OC)c(OCc2ccccc2)c(OC)c1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.56
CTSV O60911 1/20 0.54
CTSL P07711 1/20 0.54
LMNA P02545 3/20 0.53
HTT P42858 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 2/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.49
MEN1 O00255 2/20 0.45
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
GAA P10253 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP19A1 P11511 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HTR1A P08908 1/20 0.43
ADRA1D P25100 1/20 0.43

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
SCHEMBL5962929 0.91 PKM (0.70) PKMCTSVCTSLLMNAHTT
SCHEMBL5962746 0.89 PKM (0.56) PKMCTSVCTSLLMNAHTT
SCHEMBL30524610 0.86 LMNA (0.49) PKMCTSVCTSLLMNAHTT
SCHEMBL23248003 0.84 SMN1; SMN2 (0.56) PKMCTSVCTSLLMNAHTT
SCHEMBL2907457 0.83 PKM (0.75) PKMLMNAHTTSMN1; SMN2POLB
SCHEMBL16342378 0.81 LMNA (0.48) CTSVCTSLLMNAHTTSMN1; SMN2
SCHEMBL30666033 0.81 HPGD (0.56) CTSVCTSLLMNASMN1; SMN2ALDH1A1
SCHEMBL18394067 0.81 HPGD (0.56) CTSVCTSLLMNASMN1; SMN2ALDH1A1
SCHEMBL5466233 0.81 PKM (0.57) PKMCTSVCTSLLMNAHTT
SCHEMBL7822540 0.80 CTSV (0.53) PKMCTSVCTSLLMNAHTT

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 PKM 3354/4885CTSV 4192/4885CTSL 4114/4885

“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.