SCHEMBL3584296

SCHEMBL3584296

O=[N+]([O-])c1cnccc1OCc1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGMT P16455 1/20 0.47
TLR4 O00206 1/20 0.43
TLR2 O60603 1/20 0.43
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 2/20 0.43
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
RECQL P46063 1/20 0.43
ABCB1 P08183 1/20 0.42
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
SYK P43405 4/20 0.41
CTSB P07858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
AURKB Q96GD4 2/20 0.40
INCENP Q9NQS7 2/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
POLB P06746 1/20 0.40
SENP8 Q96LD8 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
SCHEMBL8119165 0.85 NPC1 (0.60) MGMTALDH1A1KDM4ERAB9ANPC1
SCHEMBL1936411 0.83 CYP11B1 (0.54) ALDH1A1RAB9ANPC1RECQLHTR1A
SCHEMBL3585058 0.79 MGMT (0.52) MGMTALDH1A1RAB9ANPC1HTR1A
SCHEMBL3591203 0.78 ALDH1A1 (0.44) ALDH1A1KDM4ERAB9ANPC1RECQL
SCHEMBL3577048 0.76 ALDH1A1 (0.49) ALDH1A1RAB9ANPC1RECQLHTR1A
SCHEMBL3488943 0.76 ALDH1A1 (0.50) ALDH1A1RAB9ANPC1RECQLSMN1; SMN2
SCHEMBL3586602 0.76 RAB9A (0.41) ALDH1A1RAB9ANPC1RECQLHTR1A
SCHEMBL26916583 0.75 KMT2A (0.64) MGMTALDH1A1KDM4ERAB9ANPC1
SCHEMBL25431681 0.75 NPC1 (0.54) ALDH1A1KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL3586579 0.75 RAB9A (0.50) MGMTALDH1A1RAB9ANPC1SMN1; SMN2

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 MGMT 4361/4885TLR4 3403/4885TLR2 4577/4885

“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.