SCHEMBL3591203

SCHEMBL3591203

O=[N+]([O-])c1cnccc1OCc1ccccc1Br

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
KMT2A Q03164 2/20 0.43
RECQL P46063 1/20 0.41
ATG4B Q9Y4P1 1/20 0.39
MAPT P10636 4/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PRKCQ Q04759 1/20 0.39
LMNA P02545 3/20 0.38
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 1/20 0.38
SENP8 Q96LD8 1/20 0.38

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
SCHEMBL7982492 0.83 NPC1 (0.60) ALDH1A1RAB9ANPC1KMT2ARECQL
SCHEMBL3577048 0.82 ALDH1A1 (0.49) ALDH1A1RAB9ANPC1KMT2ARECQL
SCHEMBL3586602 0.81 RAB9A (0.41) ALDH1A1RAB9ANPC1KMT2ARECQL
SCHEMBL1936411 0.81 CYP11B1 (0.54) ALDH1A1RAB9ANPC1KMT2ARECQL
SCHEMBL3584296 0.78 MGMT (0.47) ALDH1A1RAB9ANPC1KMT2ARECQL
SCHEMBL3585058 0.77 MGMT (0.52) ALDH1A1RAB9ANPC1KMT2AMAPT
SCHEMBL29485992 0.76 LMNA (0.56) ALDH1A1RAB9ANPC1KMT2AMAPT
SCHEMBL22748314 0.76 LMNA (0.56) ALDH1A1RAB9ANPC1KMT2AMAPT
SCHEMBL488438 0.76 KMT2A (0.60) ALDH1A1RAB9ANPC1KMT2ARECQL
SCHEMBL3576759 0.74 INPPL1 (0.54) RAB9ANPC1KMT2APRKCQLMNA

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 5 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
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
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 ALDH1A1 1933/4885RAB9A 270/4885NPC1 3098/4885

“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.