SCHEMBL3462629

SCHEMBL3462629

CC(CNc1ccc([N+](=O)[O-])cc1C(=O)O)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.64
KMT2A Q03164 6/20 0.64
MEN1 O00255 5/20 0.64
GAA P10253 1/20 0.64
CDK2 P24941 8/20 0.59
CYP1A2 P05177 2/20 0.59
NPC1 O15118 1/20 0.59
TRPA1 O75762 1/20 0.59
ALDH1A1 P00352 1/20 0.59
LMNA P02545 1/20 0.59
CYP2C9 P11712 1/20 0.59
TSHR P16473 1/20 0.59
MAPK1 P28482 1/20 0.59
THPO P40225 1/20 0.59
BLM P54132 1/20 0.59
PMP22 Q01453 1/20 0.59
HSD17B10 Q99714 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
PLA2G1B P04054 1/20 0.58
ATG4B Q9Y4P1 1/20 0.58

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
SCHEMBL9835626 0.89 MAPT (0.68) MAPTKMT2AMEN1GAACDK2
SCHEMBL3462626 0.86 KMT2A (0.49) MAPTKMT2AMEN1GAACDK2
SCHEMBL9833089 0.81 MAPT (0.70) MAPTKMT2AMEN1GAACDK2
SCHEMBL9834480 0.81 CRHBP (0.70) MAPTKMT2AMEN1GAACDK2
SCHEMBL4205393 0.81 CRHBP (0.70) MAPTKMT2AMEN1GAACDK2
SCHEMBL4214475 0.81 CRHBP (0.70) MAPTKMT2AMEN1GAACDK2
SCHEMBL4211532 0.79 KMT2A (0.72) MAPTKMT2AMEN1GAACDK2
SCHEMBL4212246 0.78 MAPT (1.00) MAPTKMT2AMEN1GAACDK2
SCHEMBL3462623 0.78 MAPT (0.58) MAPTKMT2AMEN1GAACDK2
SCHEMBL17505169 0.77 KMT2A (0.77) MAPTKMT2AMEN1GAACDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3808348-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PROGRESSIVE MULTIFOCAL LEUKOENCEPHALOPATHY (PML) Biogen MA Inc. (US) 2021-04-21 EP claimed
US-20130183289-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PROGRESSIVE MULTIFOCAL LEUKOENCEPHALOPATHY (PML) BIOGEN IDEC MA INC (US) 2013-07-18 US claimed
EP-2200611-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PROGRESSIVE MULTIFOCAL LEUKOENCEPHALOPATHY (PML) Biogen Idec MA, Inc. (US) 2010-06-30 EP claimed
WO-2009038684-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PROGRESSIVE MULTIFOCAL LEUKOENCEPHALOPATHY (PML) BIOGEN IDEC MA INC. (US) 2009-03-26 WO claimed
EP-4159213-A1 PHARMACEUTICAL COMPOSITIONS FOR USE IN PREVENTION AND/OR TREATMENT AND/OR CURE OF HEPATITIS B VIRUS Katholieke Universiteit Leuven (BE) 2023-04-05 EP disclosed
EP-3808348-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PROGRESSIVE MULTIFOCAL LEUKOENCEPHALOPATHY (PML) Biogen MA Inc. (US) 2021-04-21 EP disclosed
EP-3025714-B9 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PROGRESSIVE MULTIFOCAL LEUKOENCEPHALOPATHY (PML) BIOGEN MA INC (US) 2020-11-18 EP disclosed
EP-3025714-B1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PROGRESSIVE MULTIFOCAL LEUKOENCEPHALOPATHY (PML) BIOGEN MA INC (US) 2020-07-15 EP disclosed
US-20200197544-A1 JCV IMAGING METHODS AND COMPOSITIONS BIOGEN MA INC (US) 2020-06-25 US disclosed
EP-3615681-A1 JCV IMAGING METHODS AND COMPOSITIONS Biogen MA Inc. (US) 2020-03-04 EP disclosed
US-10161929-B2 Theranostics platform and methods of use Sanford Burnham Prebys Medical Discovery (US) 2018-12-25 US disclosed
WO-2018200791-A1 JCV IMAGING METHODS AND COMPOSITIONS BIOGEN MA INC. (US) 2018-11-01 WO disclosed
US-20160151390-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PROGRESSIVE MULTIFOCAL LEUKOENCEPHALOPATHY (PML) BIOGEN MA INC. (US) 2016-06-02 US disclosed
EP-3025714-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PROGRESSIVE MULTIFOCAL LEUKOENCEPHALOPATHY (PML) Biogen MA Inc. (US) 2016-06-01 EP disclosed
US-9233107-B2 Compositions and methods for the treatment of progressive multifocal leukoencephalopathy (PML) BIOGEN MA INC. (US) 2016-01-12 US disclosed
WO-2013123403-A1 THERANOSTICS PLATFORM AND METHODS OF USE SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2013-08-22 WO disclosed
US-20130183289-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PROGRESSIVE MULTIFOCAL LEUKOENCEPHALOPATHY (PML) BIOGEN IDEC MA INC (US) 2013-07-18 US disclosed
EP-2200611-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PROGRESSIVE MULTIFOCAL LEUKOENCEPHALOPATHY (PML) Biogen Idec MA, Inc. (US) 2010-06-30 EP disclosed
US-20090143279-A1 Methods and compositions for treating metabolic disorders PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2009-06-04 US disclosed
WO-2009038684-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PROGRESSIVE MULTIFOCAL LEUKOENCEPHALOPATHY (PML) BIOGEN IDEC MA INC. (US) 2009-03-26 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-20090143279-A1 Methods and compositions for treating metabolic disorders PC, PCK2, CS MAPT 357/4885KMT2A 2380/4885MEN1 3749/4885

“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.