SCHEMBL1736581

SCHEMBL1736581

O=[N+]([O-])c1cccnc1COc1ccccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.54
NPC1 O15118 6/20 0.53
RAB9A P51151 6/20 0.53
KMT2A Q03164 5/20 0.53
ALDH1A1 P00352 4/20 0.50
GAA P10253 1/20 0.50
RECQL P46063 1/20 0.46
KDM4E B2RXH2 3/20 0.45
S1PR4 O95977 1/20 0.45
LMNA P02545 1/20 0.44
MEN1 O00255 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
ATM Q13315 1/20 0.42
PDE10A Q9Y233 1/20 0.41

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
SCHEMBL8474765 0.83 ALDH1A1 (0.54) NPC1RAB9AKMT2AALDH1A1GAA
SCHEMBL8119167 0.80 RAB9A (0.59) HPGDNPC1RAB9AKMT2AALDH1A1
SCHEMBL1738435 0.79 KMT2A (0.52) NPC1RAB9AKMT2AALDH1A1S1PR4
SCHEMBL1736150 0.78 NPC1 (0.49) NPC1RAB9AKMT2AALDH1A1GAA
SCHEMBL1737648 0.77 HSPB1 (0.54) NPC1RAB9AKMT2AALDH1A1GAA
SCHEMBL1738434 0.76 NPC1 (0.52) NPC1RAB9AKMT2AALDH1A1RECQL
SCHEMBL8566533 0.75 ALDH1A1 (0.53) NPC1RAB9AKMT2AALDH1A1GAA
SCHEMBL19475055 0.75 FFAR1 (0.48) HPGDNPC1RAB9AALDH1A1KDM4E
SCHEMBL1739131 0.75 S1PR4 (0.49) NPC1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL20195560 0.74 ALDH1A1 (0.50) HPGDNPC1RAB9AKMT2AALDH1A1

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 HPGD 148/4885NPC1 2915/4885RAB9A 435/4885
US-20070219230-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF PGA5, ATP6AP1, ATP6V1H HPGD 148/4885NPC1 2915/4885RAB9A 435/4885

“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.