SCHEMBL1738434

SCHEMBL1738434

O=[N+]([O-])c1cccnc1COc1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.52
RAB9A P51151 4/20 0.52
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
ATM Q13315 1/20 0.52
MAPK1 P28482 2/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 2/20 0.44
MAOB P27338 1/20 0.42
PDE10A Q9Y233 1/20 0.42
LTA4H P09960 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 3/20 0.41
POLB P06746 1/20 0.41
HSPB1 P04792 3/20 0.41
RECQL P46063 1/20 0.41
HTT P42858 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL8119167 0.87 RAB9A (0.59) NPC1RAB9AKMT2AMEN1ATM
SCHEMBL1738435 0.86 KMT2A (0.52) NPC1RAB9AKMT2AMEN1ATM
SCHEMBL1736342 0.86 NPC1 (0.52) NPC1RAB9AKMT2AMEN1ATM
SCHEMBL1737648 0.81 HSPB1 (0.54) NPC1RAB9AKMT2AMEN1ATM
SCHEMBL1736150 0.80 NPC1 (0.49) NPC1RAB9AKMT2AMEN1ATM
SCHEMBL14577748 0.79 MEN1 (0.80) NPC1RAB9AKMT2AMEN1ATM
SCHEMBL3597296 0.77 ALDH1A1 (0.66) NPC1RAB9AKMT2AMEN1ATM
SCHEMBL1736581 0.76 HPGD (0.54) NPC1RAB9AKMT2AMEN1ATM
SCHEMBL8474765 0.76 ALDH1A1 (0.54) NPC1RAB9AKMT2AMEN1ATM
SCHEMBL1735397 0.76 MAPT (0.46) NPC1RAB9AKMT2AMEN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188114-B2 Pyrrolo[2,3-C]pyridine derivatives and processes for the preparation thereof YUHAN CORPORATION (KR) 2012-05-29 US disclosed
EP-1784404-B1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2011-11-16 EP disclosed
US-20110263306-A1 COMPUTER SYSTEM AND PROGRAM NAMCO BANDAI GAMES INC. (JP) 2011-10-27 US disclosed
US-20100069430-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2010-03-18 US disclosed
US-7662832-B2 Pyrrolo[2,3-c]pyridine derivatives and processes for the preparation thereof YUHAN CORPORATION (KR) 2010-02-16 US disclosed
EP-1784404-A4 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2009-09-09 EP disclosed
US-20070219230-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2007-09-20 US disclosed
EP-1784404-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Yuhan Corporation (KR) 2007-05-16 EP disclosed
WO-2006025716-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-03-09 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 (2 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-20100069430-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF PGA5, ATP6AP1, ATP6V1H NPC1 2915/4885RAB9A 435/4885KMT2A 3661/4885
US-20070219230-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF PGA5, ATP6AP1, ATP6V1H NPC1 2915/4885RAB9A 435/4885KMT2A 3661/4885

“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.