SCHEMBL3594746

SCHEMBL3594746

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
PTGES O14684 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAOB P27338 4/20 0.42
MAOA P21397 1/20 0.42
CYP19A1 P11511 2/20 0.41
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
LRRK2 Q5S007 2/20 0.41
SRPK3 Q9UPE1 1/20 0.41
PTPN1 P18031 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
IDO1 P14902 1/20 0.39

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
SCHEMBL3586579 0.85 RAB9A (0.50) POLBPTGESMAPTRAB9ANPSR1
SCHEMBL3578915 0.83 MEN1 (0.48) MAPTRAB9ANPSR1CYP19A1CYP11B1
SCHEMBL25431681 0.83 NPC1 (0.54) MAPTRAB9ANPSR1CYP19A1CYP11B1
SCHEMBL1936411 0.82 CYP11B1 (0.54) POLBMAPTRAB9ANPSR1CYP19A1
SCHEMBL6904365 0.81 POLB (0.56) POLBPTGESMAPTRAB9AMAOB
SCHEMBL20189613 0.81 CYP17A1 (0.41) POLBMAPTRAB9A
SCHEMBL3590484 0.79 HTT (0.46) MAPTRAB9ANPSR1CYP19A1CYP11B1
SCHEMBL3585058 0.79 MGMT (0.52) MAPTRAB9ANPSR1CYP19A1CYP11B1
SCHEMBL2771800 0.75 MAPT (0.48) PTGESMAPTRAB9ANPSR1CYP19A1
SCHEMBL4721194 0.74 MEN1 (0.51) POLBMAPTRAB9AATG4BTRPV1

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 POLB 1720/4885PTGES 530/4885MAPT 3810/4885

“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.