SCHEMBL242653

SCHEMBL242653

O=[N+]([O-])c1cccnc1Oc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.74
MEN1 O00255 5/20 0.74
RAB9A P51151 4/20 0.74
NPC1 O15118 3/20 0.74
ATM Q13315 1/20 0.74
ALDH1A1 P00352 4/20 0.71
MAPT P10636 4/20 0.63
MAPK1 P28482 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
LTA4H P09960 1/20 0.59
PIN1 Q13526 2/20 0.56
POLB P06746 2/20 0.52
GAA P10253 2/20 0.52
KDM4E B2RXH2 1/20 0.52
GFER P55789 1/20 0.50
TDP1 Q9NUW8 1/20 0.48
PDE10A Q9Y233 1/20 0.47

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
Acetic Acid SCHEMBL4766209 0.93 ALDH1A1 (0.67) KMT2AMEN1RAB9ANPC1ATM
SCHEMBL8099661 0.93 MEN1 (0.66) KMT2AMEN1RAB9ANPC1ATM
Acetic Acid SCHEMBL4766215 0.93 ALDH1A1 (0.67) KMT2AMEN1RAB9ANPC1ATM
SCHEMBL10522426 0.88 ALDH1A1 (0.77) KMT2AMEN1RAB9ANPC1ATM
SCHEMBL25309429 0.86 KMT2A (0.65) KMT2AMEN1RAB9ANPC1ATM
SCHEMBL7368692 0.86 ALDH1A1 (0.61) KMT2AMEN1RAB9ANPC1ATM
SCHEMBL3597296 0.86 ALDH1A1 (0.66) KMT2AMEN1RAB9ANPC1ATM
SCHEMBL8875848 0.86 ALDH1A1 (0.66) KMT2AMEN1RAB9ANPC1ATM
SCHEMBL5025726 0.86 MEN1 (0.65) KMT2AMEN1RAB9ANPC1ATM
SCHEMBL27445845 0.82 ALDH1A1 (0.57) KMT2AMEN1RAB9ANPC1ATM

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 68 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102112448-B DAA-pyridine as peripheral benzodiazepine receptor ligand for diagnostic imaging and pharmaceutical treatment BAYER SCHERING PHARMA AG 2014-08-06 CN disclosed
EP-2321279-B1 DAA-PYRIDINE AS PERIPHERAL BENZODIAZEPINE RECEPTOR LIGAND FOR DIAGNOSTIC IMAGING AND PHARMACEUTICAL TREATMENT PIRAMAL IMAGING SA (CH) 2014-07-02 EP disclosed
EP-2408451-A2 RADIOLABELLED PYRIDINYL DERIVATIVES FOR IN-VIVO IMAGING GE Healthcare UK Limited (GB) 2012-01-25 EP disclosed
US-20120003154-A1 ARYLOXYANILIDE DERIVATIVES GE HEALTHCARE LIMITED (GB) 2012-01-05 US disclosed
US-20120003154-A1 ARYLOXYANILIDE DERIVATIVES GE HEALTHCARE LIMITED (GB) 2012-01-05 US disclosed
US-20110200535-A1 DAA-PYRIDINE AS PERIPHERAL BENZODIAZEPINE RECEPTOR LIGAND FOR DIAGNOSTIC IMAGING AND PHARMACEUTICAL TREATMENT BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-18 US disclosed
US-20110200535-A1 DAA-PYRIDINE AS PERIPHERAL BENZODIAZEPINE RECEPTOR LIGAND FOR DIAGNOSTIC IMAGING AND PHARMACEUTICAL TREATMENT BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-18 US disclosed
CN-102112448-A DAA-pyridine as peripheral benzodiazepine receptor ligand for diagnostic imaging and pharmaceutical treatment BAYER SCHERING PHARMA AG 2011-06-29 CN disclosed
EP-2321279-A1 DAA-PYRIDINE AS PERIPHERAL BENZODIAZEPINE RECEPTOR LIGAND FOR DIAGNOSTIC IMAGING AND PHARMACEUTICAL TREATMENT Bayer Schering Pharma Aktiengesellschaft (DE) 2011-05-18 EP disclosed
WO-2010106166-A2 ARYLOXYANILIDE DERIVATIVES GE HEALTHCARE LIMITED (GB) 2010-09-23 WO disclosed
WO-2003050117-A1 SULFONAMIDO SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-06-19 WO disclosed
WO-2003050119-A2 UREA SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-06-19 WO disclosed
US-6545017-B1 Inducing cytokine biosynthesis; treating a viral and neoplastic diseases 3M INNOVATIVE PROPERTIES COMPANY 2003-04-08 US disclosed
US-6545016-B1 Inducing cytokine biosynthesis; treating a viral and neoplastic diseases 3M INNOVATIVE PROPERTIES COMPANY 2003-04-08 US disclosed
US-6525064-B1 Immune response modifiers; can induce the biosynthesis of various cytokines; 3M INNOVATIVE PROPERTIES COMPANY 2003-02-25 US disclosed
US-20020107262-A1 SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES COMPANY 2002-08-08 US disclosed
WO-2002046194-A2 SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2002-06-13 WO disclosed
US-5977146-A Pyridylcarbamates, process and intermediates for their preparation, and their use BASF AKTIENGESELLSCHAFT (DE) 1999-11-02 US disclosed
EP-0874825-A1 PYRIDYL CARBAMATES, PROCESS AND INTERMEDIATES FOR THE PREPARATION AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 1998-11-04 EP disclosed
WO-1997021679-A1 PYRIDYL CARBAMATES, PROCESS AND INTERMEDIATES FOR THE PREPARATION AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 1997-06-19 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 (3 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-20110200535-A1 DAA-PYRIDINE AS PERIPHERAL BENZODIAZEPINE RECEPTOR LIGAND FOR DIAGNOSTIC IMAGING AND PHARMACEUTICAL TREATMENT GABRA6, GABRA4, GABRA1 KMT2A 702/4885MEN1 1074/4885RAB9A 1848/4885
US-20020107262-A1 SUBSTITUTED IMIDAZOPYRIDINES IRF3, IFNG, EIF2AK2 KMT2A 2348/4885MEN1 2807/4885RAB9A 1655/4885
US-20120003154-A1 ARYLOXYANILIDE DERIVATIVES GABBR1, GABRA4, CNR1 KMT2A 2012/4885MEN1 3626/4885RAB9A 3285/4885

“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.