SCHEMBL2149235

SCHEMBL2149235

COC(=O)c1cc(OC)c(OCCCOc2cc([N+](=O)[O-])c(C(=O)OC)cc2OC)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.55
POLB P06746 2/20 0.55
NPC1 O15118 1/20 0.53
CYP3A4 P08684 1/20 0.53
PKM P14618 2/20 0.50
KMT2A Q03164 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 4/20 0.49
MAPT P10636 2/20 0.48
HSP90AA1 P07900 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL14705129 1.00 HTT (0.55) HTTPOLBNPC1CYP3A4PKM
SCHEMBL5964493 0.96 POLB (0.54) HTTPOLBNPC1CYP3A4PKM
SCHEMBL1012270 0.93 POLB (0.52) HTTPOLBNPC1CYP3A4PKM
SCHEMBL28400061 0.93 POLB (0.52) HTTPOLBNPC1CYP3A4PKM
SCHEMBL1011872 0.93 POLB (0.52) HTTPOLBNPC1CYP3A4PKM
SCHEMBL14418100 0.93 HTT (0.55) HTTPOLBNPC1CYP3A4PKM
SCHEMBL25039321 0.92 POLB (0.51) HTTPOLBNPC1CYP3A4PKM
SCHEMBL5962896 0.92 POLB (0.51) HTTPOLBNPC1CYP3A4PKM
SCHEMBL25040483 0.92 POLB (0.51) HTTPOLBNPC1CYP3A4PKM
SCHEMBL4372581 0.92 POLB (0.51) HTTPOLBNPC1CYP3A4PKM

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 114 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11779650-B2 Pyrrolobenzodiazepine-antibody conjugates MEDIMMUNE LIMITED (GB) 2023-10-10 US disclosed
US-11771775-B2 Pyrrolobenzodiazepine-antibody conjugates MEDIMMUNE LIMITED (GB) 2023-10-03 US disclosed
US-11690918-B2 Pyrrolobenzodiazepine-anti-CD22 antibody conjugates MEDIMMUNE LIMITED (GB) 2023-07-04 US disclosed
US-20230143309-A1 PYRROLOBENZODIAZEPINE ANTIBODY CONJUGATES MEDIMMUNE LIMITED (GB) 2023-05-11 US disclosed
US-11517626-B2 Pyrrolobenzodiazepine antibody conjugates MEDIMMUNE LIMITED (GB) 2022-12-06 US disclosed
US-20210187117-A1 PYRROLOBENZODIAZEPINE CONJUGATES MEDIMMUNE LIMITED (GB) 2021-06-24 US disclosed
EP-3525830-B1 PYRROLOBENZODIAZEPINE CONJUGATES MEDIMMUNE LTD (GB) 2021-03-10 EP disclosed
US-20200405880-A1 PYRROLOBENZODIAZEPINE-ANTIBODY CONJUGATES BLUE OWL OPPORTUNISTIC MASTER FUND I, L.P. (FORMERLY KNOWN AS OWL ROCK OPPORTUNISTIC MASTER FUND I, L.P.) 2020-12-31 US disclosed
EP-3470086-B1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF MEDIMMUNE LTD (GB) 2020-11-25 EP disclosed
US-20200345861-A1 PYRROLOBENZODIAZEPINE-ANTIBODY CONJUGATES BLUE OWL OPPORTUNISTIC MASTER FUND I, L.P. (FORMERLY KNOWN AS OWL ROCK OPPORTUNISTIC MASTER FUND I, L.P.) 2020-11-05 US disclosed
EP-2318413-B1 PYRROLOBENZODIAZEPINES SPIROGEN LTD (GB) 2012-05-09 EP disclosed
US-20110201803-A1 PYRROLOBENZODIAZEPINES SPIROGEN LIMITED (GB) 2011-08-18 US disclosed
EP-1675857-B1 PYRROLOBENZODIAZEPINE DERIVATIVES, COMPOSITIONS COMPRISING THE SAME AND METHODS RELATED THERETO US GOV HEALTH & HUMAN SERV (US) 2011-07-13 EP disclosed
US-7834005-B2 Pyrrolobenzodiazepine derivatives, compositions comprising the same and methods related thereto THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2010-11-16 US disclosed
WO-2010043877-A1 PYRROLOBENZODIAZEPINES SPIROGEN LIMITED (GB) 2010-04-22 WO disclosed
WO-2010010347-A1 PYRROLOBENZODIAZEPINES SPIROGEN LIMITED (GB) 2010-01-28 WO disclosed
US-20090149449-A1 PYRROLOBENZODIAZEPINE DERIVATIVES, COMPOSITIONS COMPRISING THE SAME AND METHODS RELATED THERETO THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICE (US) 2009-06-11 US disclosed
US-7511032-B2 Pyrrolobenzodiazepine derivatives, compositions comprising the same and methods related thereto THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2009-03-31 US disclosed
EP-1675857-A2 PYRROLOBENZODIAZEPINE DERIVATIVES, COMPOSITIONS COMPRISING THE SAME AND METHODS RELATED THERETO THE GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2006-07-05 EP disclosed
WO-2005040170-A2 PYRROLOBENZODIAZEPINE DERIVATIVES, COMPOSITIONS COMPRISING THE SAME AND METHODS RELATED THERETO GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2005-05-06 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 (10 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-20200345861-A1 PYRROLOBENZODIAZEPINE-ANTIBODY CONJUGATES CD79B, BCL6B, BCL6 HTT 1998/4885POLB 1824/4885NPC1 3743/4885
US-11690918-B2 Pyrrolobenzodiazepine-anti-CD22 antibody conjugates CD22, CD2, CD2BP2 HTT 2707/4885POLB 2577/4885NPC1 3812/4885
US-11779650-B2 Pyrrolobenzodiazepine-antibody conjugates IL2RA, CD4, IL2 HTT 2331/4885POLB 2900/4885NPC1 4493/4885
US-20090149449-A1 PYRROLOBENZODIAZEPINE DERIVATIVES, COMPOSITIONS COMPRISING THE SAME AND METHODS RELATED THERETO CCNB1, NPY1R, CCNO HTT 3569/4885POLB 1300/4885NPC1 627/4885
US-11771775-B2 Pyrrolobenzodiazepine-antibody conjugates CD79B, BCL6B, BCL6 HTT 1998/4885POLB 1824/4885NPC1 3743/4885
US-20110201803-A1 PYRROLOBENZODIAZEPINES HCRTR2, HCRTR1, CBR3 HTT 637/4885POLB 1637/4885NPC1 3213/4885
US-20230143309-A1 PYRROLOBENZODIAZEPINE ANTIBODY CONJUGATES CD79B, H1-10, DRD1 HTT 3365/4885POLB 1167/4885NPC1 3253/4885
US-20200405880-A1 PYRROLOBENZODIAZEPINE-ANTIBODY CONJUGATES IL2RA, CD4, IL2 HTT 2331/4885POLB 2900/4885NPC1 4493/4885
US-11517626-B2 Pyrrolobenzodiazepine antibody conjugates CD79B, DRD1, H1-10 HTT 3680/4885POLB 1360/4885NPC1 3121/4885
US-20210187117-A1 PYRROLOBENZODIAZEPINE CONJUGATES H1-10, DRD1, DRD2 HTT 2094/4885POLB 1739/4885NPC1 1644/4885

“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.