SCHEMBL3591208

SCHEMBL3591208

O=[N+]([O-])c1c(Br)ccnc1OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGMT P16455 7/20 0.54
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ATM Q13315 1/20 0.49
PIN1 Q13526 2/20 0.48
CYP19A1 P11511 2/20 0.44
CYP11B1 P15538 2/20 0.44
CYP11B2 P19099 2/20 0.44
CNR1 P21554 1/20 0.42
ACHE P22303 1/20 0.42
CNR2 P34972 1/20 0.42
LMNA P02545 1/20 0.41
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL30648686 0.83 MGMT (0.54) MGMTMEN1KMT2ANPC1RAB9A
SCHEMBL1843397 0.83 MGMT (0.54) MGMTMEN1KMT2ANPC1RAB9A
SCHEMBL14027831 0.83 MGMT (0.54) MGMTMEN1KMT2ANPC1RAB9A
SCHEMBL8564287 0.83 MGMT (0.61) MGMTMEN1KMT2ANPC1RAB9A
SCHEMBL1840400 0.82 MGMT (0.53) MGMTMEN1KMT2ANPC1RAB9A
SCHEMBL26640517 0.80 MGMT (0.51) MGMTMEN1KMT2ANPC1RAB9A
SCHEMBL3586604 0.80 MGMT (0.51) MGMTMEN1KMT2ANPC1RAB9A
SCHEMBL26640374 0.80 MGMT (0.51) MGMTMEN1KMT2ANPC1RAB9A
SCHEMBL29021281 0.79 KMT2A (0.46) MGMTMEN1KMT2ANPC1RAB9A
SCHEMBL26640090 0.79 MGMT (0.50) MGMTMEN1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1784403-B1 PYRROLO[3,2-B]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2013-07-17 EP disclosed
CN-101010321-B Pyrrolo[3,2-B]pyridine derivatives and processes for the preparation thereof YUHAN CORP 2011-10-26 CN disclosed
US-7642269-B2 Pyrrolo[3,2-B]pyridine derivatives and processes for the preparation thereof YUHAN CORPORATION (KR) 2010-01-05 US disclosed
US-20070213358-A1 PYRROLO[3,2-B]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2007-09-13 US disclosed
CN-101010321-A Pyrrolo[3,2-B]pyridine derivatives and processes for the preparation thereof YUHAN CORP (KR) 2007-08-01 CN disclosed
EP-1784403-A1 PYRROLO[3,2-B]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Yuhan Corporation (KR) 2007-05-16 EP disclosed
WO-2006038773-A1 PYRROLO[3,2-B]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-04-13 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-20070213358-A1 PYRROLO[3,2-B]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF PGA5, ATP6AP1, PPOX MGMT 4361/4885MEN1 2718/4885KMT2A 3542/4885

“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.