SCHEMBL3462623

SCHEMBL3462623

CCC(Nc1ccc([N+](=O)[O-])cc1C(=O)O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.58
CTSV O60911 3/20 0.57
CTSL P07711 3/20 0.57
KMT2A Q03164 6/20 0.57
MEN1 O00255 5/20 0.57
GAA P10253 1/20 0.57
CDK2 P24941 4/20 0.53
ALDH1A1 P00352 3/20 0.53
LMNA P02545 2/20 0.53
NPC1 O15118 1/20 0.53
TRPA1 O75762 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
THPO P40225 1/20 0.53
BLM P54132 1/20 0.53
PMP22 Q01453 1/20 0.53
HSD17B10 Q99714 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53

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
SCHEMBL4205393 0.84 CRHBP (0.70) MAPTCTSVCTSLKMT2AMEN1
SCHEMBL4214475 0.84 CRHBP (0.70) MAPTCTSVCTSLKMT2AMEN1
SCHEMBL9834480 0.84 CRHBP (0.70) MAPTCTSVCTSLKMT2AMEN1
SCHEMBL17434401 0.79 MAPT (0.70) MAPTCTSVCTSLKMT2AMEN1
SCHEMBL4897621 0.79 KDM4E (0.57) KMT2AMEN1ALDH1A1LMNATSHR
SCHEMBL9835626 0.79 MAPT (0.68) MAPTCTSVCTSLKMT2AMEN1
SCHEMBL5265055 0.78 MAPT (0.64) MAPTCTSVCTSLKMT2AMEN1
SCHEMBL3462629 0.78 MAPT (0.64) MAPTCTSVCTSLKMT2AMEN1
SCHEMBL4208131 0.78 MAPT (0.60) MAPTCTSVCTSLKMT2AMEN1
SCHEMBL9833089 0.77 MAPT (0.70) MAPTCTSVCTSLKMT2AMEN1

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 22 patents — showing the first 20. 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
US-8372808-B2 Suppression of glial fibrillary acidic protein WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-02-12 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
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
US-8871463-B2 Method for screening a glutamate release inhibitor in an astrocyte KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2014-10-28 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 357/4885CTSV 3238/4885CTSL 3929/4885

“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.