SCHEMBL3590484

SCHEMBL3590484

O=[N+]([O-])c1cnccc1OCc1cc(F)cc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.46
RAB9A P51151 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 5/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP11B1 P15538 4/20 0.40
CYP11B2 P19099 4/20 0.40
CYP19A1 P11511 2/20 0.40
NPSR1 Q6W5P4 1/20 0.39
CTSV O60911 2/20 0.39
CTSL P07711 2/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.38
SGMS2 Q8NHU3 1/20 0.38
CHEK1 O14757 1/20 0.37

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 0.88 RAB9A (0.50) HTTRAB9AALDH1A1MAPTLMNA
SCHEMBL1936411 0.82 CYP11B1 (0.54) RAB9AALDH1A1MAPTTDP1L3MBTL1
SCHEMBL3585058 0.81 MGMT (0.52) HTTRAB9AALDH1A1MAPTLMNA
SCHEMBL3578915 0.80 MEN1 (0.48) HTTRAB9AALDH1A1MAPTLMNA
SCHEMBL25431681 0.80 NPC1 (0.54) RAB9AALDH1A1MAPTLMNAL3MBTL1
SCHEMBL3594746 0.79 POLB (0.43) RAB9AMAPTCYP11B1CYP11B2CYP19A1
SCHEMBL3595382 0.78 MAOB (0.46) RAB9AALDH1A1MAPTLMNAGAA
SCHEMBL2771800 0.77 MAPT (0.48) HTTRAB9AALDH1A1MAPTLMNA
SCHEMBL2038318 0.75 LRRK2 (0.48) HTTRAB9AALDH1A1MAPTLMNA
SCHEMBL3584203 0.75 KMT2A (0.49) HTTRAB9AALDH1A1MAPTTDP1

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 HTT 877/4885RAB9A 270/4885ALDH1A1 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.