SCHEMBL5962929

SCHEMBL5962929

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

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.70
CTSV O60911 3/20 0.58
CTSL P07711 3/20 0.58
LMNA P02545 2/20 0.52
HTT P42858 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
MRGPRX4 Q96LA9 1/20 0.43
RXRA P19793 1/20 0.43
GAA P10253 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP19A1 P11511 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
SCHEMBL5962746 0.91 PKM (0.56) PKMCTSVCTSLLMNAHTT
SCHEMBL5962774 0.91 PKM (0.56) PKMCTSVCTSLLMNAHTT
SCHEMBL5466233 0.89 PKM (0.57) PKMCTSVCTSLLMNAHTT
SCHEMBL6762897 0.88 CTSV (0.52) PKMCTSVCTSLALDH1A1POLB
SCHEMBL3842143 0.87 PKM (0.55) PKMCTSVCTSLLMNAHTT
SCHEMBL7822540 0.86 CTSV (0.53) PKMCTSVCTSLLMNAHTT
SCHEMBL9348425 0.84 SMN1; SMN2 (0.57) PKMCTSVCTSLLMNAHTT
SCHEMBL5966224 0.84 PKM (0.79) PKMCTSVCTSLLMNAHTT
SCHEMBL890810 0.83 PKM (1.00) PKMCTSVCTSLLMNAHTT
SCHEMBL7830300 0.81 PKM (0.75) 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.