SCHEMBL3586579

SCHEMBL3586579

O=[N+]([O-])c1cnccc1OCc1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.50
HTT P42858 3/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 3/20 0.48
LMNA P02545 2/20 0.48
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
NPSR1 Q6W5P4 1/20 0.46
MGMT P16455 1/20 0.45
CYP19A1 P11511 4/20 0.44
NPC1 O15118 3/20 0.43
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 1/20 0.42
HPD P32754 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
SCHEMBL2771800 0.89 MAPT (0.48) RAB9AHTTALDH1A1MAPTLMNA
SCHEMBL3590484 0.88 HTT (0.46) RAB9AHTTALDH1A1MAPTLMNA
SCHEMBL3578915 0.86 MEN1 (0.48) RAB9AHTTALDH1A1MAPTLMNA
SCHEMBL25431681 0.86 NPC1 (0.54) RAB9AALDH1A1MAPTLMNAKMT2A
SCHEMBL1936411 0.86 CYP11B1 (0.54) RAB9AALDH1A1MAPTKMT2AMEN1
SCHEMBL3594746 0.85 POLB (0.43) RAB9AMAPTKMT2AMEN1NPSR1
SCHEMBL3585058 0.82 MGMT (0.52) RAB9AHTTALDH1A1MAPTLMNA
SCHEMBL30069258 0.81 NPC1 (0.62) RAB9AHTTALDH1A1LMNAKMT2A
SCHEMBL14988733 0.77 RAB9A (0.60) RAB9AHTTALDH1A1LMNAKMT2A
SCHEMBL2038318 0.76 LRRK2 (0.48) RAB9AHTTALDH1A1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1784403-B1 PYRROLO[3,2-B]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2013-07-17 EP disclosed
US-7642269-B2 Pyrrolo[3,2-B]pyridine derivatives and processes for the preparation thereof YUHAN CORPORATION (KR) 2010-01-05 US disclosed
US-20070213358-A1 PYRROLO[3,2-B]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2007-09-13 US disclosed
EP-1784403-A1 PYRROLO[3,2-B]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-2006038773-A1 PYRROLO[3,2-B]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-04-13 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 (1 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-20070213358-A1 PYRROLO[3,2-B]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF PGA5, ATP6AP1, PPOX RAB9A 270/4885HTT 877/4885ALDH1A1 1933/4885

“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.