SCHEMBL1735377

SCHEMBL1735377

CSc1ccc(-c2ncccc2[N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.51
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
PDE10A Q9Y233 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 3/20 0.43
POLB P06746 1/20 0.43
PAX8 Q06710 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALOX5 P09917 1/20 0.40
RAB9A P51151 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
PKM P14618 1/20 0.38
GSK3B P49841 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL1736457 0.83 PAX8 (0.57) TRPV1MEN1KMT2APDE10ASMN1; SMN2
SCHEMBL444703 0.80 ALDH1A1 (0.53) TRPV1MEN1KMT2APDE10AALDH1A1
SCHEMBL1736168 0.80 MEN1 (0.57) TRPV1MEN1KMT2APDE10ASMN1; SMN2
SCHEMBL27930436 0.80 TRPV1 (0.51) TRPV1MEN1KMT2APDE10AALDH1A1
SCHEMBL1738384 0.80 MAPT (0.52) TRPV1MEN1KMT2APDE10AALDH1A1
SCHEMBL28567279 0.79 PDE10A (0.50) TRPV1MEN1KMT2APDE10ASMN1; SMN2
SCHEMBL1738423 0.79 NPC1 (0.56) TRPV1MEN1KMT2APDE10ASMN1; SMN2
SCHEMBL28107101 0.79 PTGS2 (0.58) TRPV1MEN1KMT2APDE10AALDH1A1
SCHEMBL31451585 0.79 NPC1 (0.56) TRPV1MEN1KMT2APDE10ASMN1; SMN2
SCHEMBL6512953 0.78 PDE10A (0.60) MEN1KMT2APDE10ASMN1; SMN2GAA

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 10 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-2007001139-A1 A COMPOSITION FOR TREATING OR PREVENTING A CANCER COMPRISING PYRROLOPYRIDINE DERIVATIVES YUHAN CORPORATION (KR) 2007-01-04 WO 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 TRPV1 226/4885MEN1 2624/4885KMT2A 3661/4885
US-20070219230-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF PGA5, ATP6AP1, ATP6V1H TRPV1 226/4885MEN1 2624/4885KMT2A 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.