SCHEMBL1736342

SCHEMBL1736342

Cc1ccc(OCc2ncccc2[N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.52
KMT2A Q03164 4/20 0.52
RAB9A P51151 3/20 0.52
MEN1 O00255 3/20 0.52
ATM Q13315 1/20 0.52
PAX8 Q06710 1/20 0.51
MAOB P27338 1/20 0.45
LMNA P02545 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.43
HSD11B1 P28845 1/20 0.43
PDE10A Q9Y233 1/20 0.42
LTA4H P09960 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
POLB P06746 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TP53 P04637 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) NPC1KMT2ARAB9AMEN1ATM
SCHEMBL1738434 0.86 NPC1 (0.52) NPC1KMT2ARAB9AMEN1ATM
SCHEMBL1738435 0.86 KMT2A (0.52) NPC1KMT2ARAB9AMEN1ATM
SCHEMBL1739131 0.81 S1PR4 (0.49) NPC1KMT2ARAB9AMEN1PAX8
SCHEMBL1736150 0.80 NPC1 (0.49) NPC1KMT2ARAB9AMEN1ATM
SCHEMBL8474765 0.79 ALDH1A1 (0.54) NPC1KMT2ARAB9AMEN1ATM
SCHEMBL17368204 0.78 MAOB (0.70) NPC1KMT2ARAB9AMEN1ATM
SCHEMBL28114429 0.76 PAX8 (0.60) KMT2ARAB9AMEN1PAX8LMNA
SCHEMBL2128185 0.75 ALDH1A1 (0.51) NPC1KMT2ARAB9AMEN1ATM
SCHEMBL30425516 0.75 PDE10A (0.51) NPC1KMT2ARAB9AMEN1PAX8

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 2915/4885KMT2A 3661/4885RAB9A 435/4885
US-20070219230-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF PGA5, ATP6AP1, ATP6V1H NPC1 2915/4885KMT2A 3661/4885RAB9A 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.