SCHEMBL2148264

SCHEMBL2148264

COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1cc(OC)c(OCCCOc2cc([N+](=O)[O-])c(C(=O)N3C[C@H](O)C[C@H]3C(=O)OC)cc2OC)cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.45
ANPEP P15144 2/20 0.45
NPC1 O15118 1/20 0.42
CYP3A4 P08684 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
PKM P14618 1/20 0.38
LMNA P02545 4/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36

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
SCHEMBL18657109 1.00 MMP2 (0.45) MMP2ANPEPNPC1CYP3A4KDM4E
SCHEMBL3345460 1.00 MMP2 (0.45) MMP2ANPEPNPC1CYP3A4KDM4E
SCHEMBL14685401 0.97 MMP2 (0.44) MMP2ANPEPNPC1CYP3A4KDM4E
SCHEMBL2297429 0.97 MMP2 (0.44) MMP2ANPEPNPC1CYP3A4KDM4E
SCHEMBL14439895 0.95 MMP2 (0.43) MMP2ANPEPNPC1CYP3A4KDM4E
SCHEMBL5926169 0.95 ANPEP (0.41) MMP2ANPEPNPC1CYP3A4KDM4E
SCHEMBL13512916 0.95 ANPEP (0.41) MMP2ANPEPNPC1CYP3A4KDM4E
SCHEMBL12284558 0.93 ANPEP (0.50) MMP2ANPEPNPC1CYP3A4KDM4E
SCHEMBL1121964 0.93 ANPEP (0.50) MMP2ANPEPNPC1CYP3A4KDM4E
SCHEMBL12347419 0.92 MMP2 (0.40) MMP2ANPEPNPC1CYP3A4KDM4E

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 61 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
EP-4039280-A1 TARGETED PYRROLOBENZODIAZEPINE CONJUGATES Seagen Inc. (US) 2022-08-10 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
US-10799596-B2 Pyrrolobenzodiazepine-antibody conjugates ADC THERAPEUTICS S.A. (CH) 2020-10-13 US disclosed
US-10751346-B2 Pyrrolobenzodiazepine—anti-PSMA antibody conjugates MEDIMMUNE LIMITED (GB) 2020-08-25 US disclosed
EP-3470086-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF MEDIMMUNE LIMITED (GB) 2019-04-17 EP disclosed
EP-2906248-B1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF MEDIMMUNE LTD (GB) 2018-12-05 EP disclosed
WO-2011130598-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF SPIROGEN LIMITED (GB) 2011-10-20 WO disclosed
US-20110256157-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF SPIROGEN LIMITED (GB) 2011-10-20 US disclosed
US-20110201803-A1 PYRROLOBENZODIAZEPINES SPIROGEN LIMITED (GB) 2011-08-18 US disclosed
US-20110201803-A1 PYRROLOBENZODIAZEPINES SPIROGEN LIMITED (GB) 2011-08-18 US disclosed
US-20110196148-A1 UNSYMMETRICAL PYRROLOBENZODIAZEPINE-DIMERS FOR TREATMENT OF PROLIFERATIVE DISEASES SPIROGEN LIMITED (GB) 2011-08-11 US disclosed
EP-2350080-A1 UNSYMMETRICAL PYRROLOBENZODIAZEPINE-DIMERS FOR TREATMENT OF PROLIFERATIVE DISEASES Spirogen Limited (GB) 2011-08-03 EP disclosed
US-20110162227-A1 PYRROLOBENZODIAZEPINES SPIROGEN LIMITED (GB) 2011-07-07 US disclosed
US-20110162227-A1 PYRROLOBENZODIAZEPINES SPIROGEN LIMITED (GB) 2011-07-07 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

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 MMP2 4461/4885ANPEP 1326/4885NPC1 3743/4885
US-11779650-B2 Pyrrolobenzodiazepine-antibody conjugates IL2RA, CD4, IL2 MMP2 4579/4885ANPEP 2198/4885NPC1 4493/4885
US-20110162227-A1 PYRROLOBENZODIAZEPINES GRIN2C, ZKSCAN2, ZRANB2 MMP2 4664/4885ANPEP 2194/4885NPC1 970/4885
US-20110196148-A1 UNSYMMETRICAL PYRROLOBENZODIAZEPINE-DIMERS FOR TREATMENT OF PROLIFERATIVE DISEASES CCND2, CCNH, CCND1 MMP2 4610/4885ANPEP 4291/4885NPC1 2473/4885
US-20110256157-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF HDAC10, PBDC1, PDCD10 MMP2 4553/4885ANPEP 3214/4885NPC1 1320/4885
US-11771775-B2 Pyrrolobenzodiazepine-antibody conjugates CD79B, BCL6B, BCL6 MMP2 4461/4885ANPEP 1326/4885NPC1 3743/4885
US-20110201803-A1 PYRROLOBENZODIAZEPINES HCRTR2, HCRTR1, CBR3 MMP2 4802/4885ANPEP 4620/4885NPC1 3213/4885
US-20200405880-A1 PYRROLOBENZODIAZEPINE-ANTIBODY CONJUGATES IL2RA, CD4, IL2 MMP2 4579/4885ANPEP 2198/4885NPC1 4493/4885
US-10751346-B2 Pyrrolobenzodiazepine—anti-PSMA antibody conjugates PSMA2, PSMA7, FOLH1 MMP2 2958/4885ANPEP 81/4885NPC1 3370/4885
US-10799596-B2 Pyrrolobenzodiazepine-antibody conjugates IL2RA, CD4, IL2 MMP2 4579/4885ANPEP 2198/4885NPC1 4493/4885

“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.