SCHEMBL3462628

SCHEMBL3462628

O=C(O)c1cccc(NCC(C[N+](=O)[O-])c2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.50
ALDH1A1 P00352 2/20 0.46
CASR P41180 2/20 0.45
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.44
PKM P14618 1/20 0.44
RAB9A P51151 1/20 0.44
PAX8 Q06710 1/20 0.44
AR P10275 1/20 0.44
AKR1C4 P17516 1/20 0.44
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
ALOX12 P18054 1/20 0.43
HTT P42858 1/20 0.43
TP53 P04637 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41

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
SCHEMBL1986644 0.76 NPC1 (0.56) ALDH1A1NPC1RAB9AGAAHTT
SCHEMBL1987488 0.72 MTNR1A (0.61) ALDH1A1NPC1MEN1KMT2A
SCHEMBL28522239 0.71 ANPEP (0.52) TP53
SCHEMBL6874512 0.71 ATM (0.55) ALDH1A1MAPTNPC1MEN1KMT2A
SCHEMBL22831472 0.71 ATM (0.55) ALDH1A1MAPTNPC1MEN1KMT2A
SCHEMBL27750775 0.71 ATM (0.55) ALDH1A1MAPTNPC1MEN1KMT2A
SCHEMBL4788685 0.71 NPC1 (0.55) ALDH1A1MAPTNPC1MEN1KMT2A
SCHEMBL28211098 0.69 MAPT (0.57) AKR1C3MAPTNPC1PKMRAB9A
SCHEMBL29147714 0.69 GABBR2 (0.58) ALDH1A1MAPTNPC1MEN1KMT2A
SCHEMBL22831452 0.69 GABBR2 (0.58) ALDH1A1MAPTNPC1MEN1KMT2A

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 23 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
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
WO-2014176460-A1 METHODS OF TREATING BEHAVIORIAL AND/OR MENTAL DISORDERS CHAU DAVID T (US) 2014-10-30 WO 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
US-8486922-B2 Composition CHEN CHIEN-HUNG (TW) 2013-07-16 US disclosed
US-20120183600-A1 NOVEL COMPOSITION FOR TREATING METABOLIC SYNDROME AND OTHER CONDITIONS CHEN CHIEN-HUNG (US) 2012-07-19 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 AKR1C3 634/4885ALDH1A1 860/4885CASR 3432/4885

“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.