SCHEMBL1737648

SCHEMBL1737648

O=[N+]([O-])c1cccnc1COc1ccc(F)cc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 4/20 0.54
TDP1 Q9NUW8 2/20 0.45
ATM Q13315 1/20 0.45
ALDH1A1 P00352 3/20 0.44
RAB9A P51151 5/20 0.43
NPC1 O15118 4/20 0.42
KMT2A Q03164 3/20 0.42
FFAR1 O14842 1/20 0.41
MAPT P10636 3/20 0.41
MAPK1 P28482 2/20 0.41
RECQL P46063 2/20 0.40
MEN1 O00255 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
THRB P10828 1/20 0.40
PKM P14618 1/20 0.40
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
BLM P54132 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
SCHEMBL1738434 0.81 NPC1 (0.52) HSPB1ATMALDH1A1RAB9ANPC1
SCHEMBL8474765 0.77 ALDH1A1 (0.54) TDP1ATMALDH1A1RAB9ANPC1
SCHEMBL1736581 0.77 HPGD (0.54) ATMALDH1A1RAB9ANPC1KMT2A
SCHEMBL1739131 0.77 S1PR4 (0.49) TDP1ALDH1A1RAB9ANPC1KMT2A
SCHEMBL8119167 0.74 RAB9A (0.59) ATMALDH1A1RAB9ANPC1KMT2A
SCHEMBL1155185 0.73 HSPB1 (0.53) HSPB1TDP1ATMALDH1A1RAB9A
SCHEMBL23536208 0.73 HSPB1 (0.56) HSPB1TDP1ATMALDH1A1RAB9A
SCHEMBL1341961 0.72 HSPB1 (0.75) HSPB1TDP1ATMALDH1A1RAB9A
SCHEMBL31219191 0.71 TDP1 (0.51) HSPB1TDP1ATMALDH1A1KMT2A
SCHEMBL2038318 0.71 LRRK2 (0.48) HSPB1TDP1ALDH1A1RAB9AMAPT

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 HSPB1 3575/4885TDP1 3396/4885ATM 4533/4885
US-20070219230-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF PGA5, ATP6AP1, ATP6V1H HSPB1 3575/4885TDP1 3396/4885ATM 4533/4885

“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.