SCHEMBL1121964

SCHEMBL1121964

COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 3/20 0.50
MMP2 P08253 2/20 0.50
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.45
CYP3A4 P08684 1/20 0.45
POLB P06746 2/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL12284558 1.00 ANPEP (0.50) ANPEPMMP2KDM4ENPC1CYP3A4
SCHEMBL2148264 0.93 MMP2 (0.45) ANPEPMMP2KDM4ENPC1CYP3A4
SCHEMBL18657109 0.93 MMP2 (0.45) ANPEPMMP2KDM4ENPC1CYP3A4
SCHEMBL3345460 0.93 MMP2 (0.45) ANPEPMMP2KDM4ENPC1CYP3A4
SCHEMBL14685401 0.92 MMP2 (0.44) ANPEPMMP2KDM4ENPC1CYP3A4
SCHEMBL2297429 0.92 MMP2 (0.44) ANPEPMMP2KDM4ENPC1CYP3A4
SCHEMBL21000141 0.91 ANPEP (0.43) ANPEPMMP2KDM4ENPC1CYP3A4
SCHEMBL14439895 0.91 MMP2 (0.43) ANPEPMMP2KDM4ENPC1CYP3A4
SCHEMBL30706553 0.91 MMP2 (0.43) ANPEPMMP2KDM4ENPC1CYP3A4
SCHEMBL18313951 0.89 KDM4E (0.47) ANPEPMMP2KDM4ENPC1CYP3A4

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1575955-B1 PYRROLOBENZODIAZEPINES FOR THE TREATMENT OF PROLIFERATIVE DISEASES SPIROGEN LTD (GB) 2011-02-09 EP disclosed
EP-1575955-B1 PYRROLOBENZODIAZEPINES FOR THE TREATMENT OF PROLIFERATIVE DISEASES SPIROGEN LTD (GB) 2011-02-09 EP disclosed
US-7407951-B2 Pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2008-08-05 US disclosed
US-7407951-B2 Pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2008-08-05 US disclosed
US-7407951-B2 Pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2008-08-05 US disclosed
US-7067511-B2 Pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2006-06-27 US disclosed
US-20060128693-A1 Pyrrolobenzodiazepines MEDIMMUNE LIMITED (GB) 2006-06-15 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 (2 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 ANPEP 3439/4885MMP2 4590/4885KDM4E 2997/4885
US-20060128693-A1 Pyrrolobenzodiazepines CYP2C19, CYP3A7, CYP2E1 ANPEP 2003/4885MMP2 3002/4885KDM4E 545/4885

“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.