SCHEMBL722567

SCHEMBL722567

NNC(=O)CCCc1ccccc1N1C(=O)C=CC1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 9/20 0.51
TLR9 Q9NR96 2/20 0.43
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HSP90AA1 P07900 1/20 0.39
PKM P14618 1/20 0.39
CCR6 P51684 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NR1H2 P55055 2/20 0.39
NR1H3 Q13133 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HDAC3 O15379 1/20 0.36

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
Hydrochloric Acid SCHEMBL562848 0.99 MGLL (0.50) MGLLTLR9CYP1A2CYP3A4CYP2D6
SCHEMBL487779 0.82 MGLL (0.57) MGLLTLR9ALDH1A1HSP90AA1PKM
SCHEMBL28418862 0.77 MGLL (0.54) MGLLTLR9ALDH1A1HSP90AA1PKM
SCHEMBL8352899 0.77 MGLL (0.77) MGLLTLR9ALDH1A1HSP90AA1PKM
SCHEMBL8612834 0.75 MGLL (0.59) MGLLTLR9ALDH1A1HSP90AA1PKM
SCHEMBL44044 0.74 MGLL (0.54) MGLLALDH1A1HSP90AA1PKMNPSR1
SCHEMBL3873448 0.74 MGLL (0.73) MGLLTLR9ALDH1A1NR1H2NR1H3
Hydrochloric Acid SCHEMBL44524 0.73 MGLL (0.52) MGLLALDH1A1HSP90AA1PKMNPSR1
Hydrochloric Acid SCHEMBL443354 0.73 MGLL (0.52) MGLLALDH1A1HSP90AA1PKMNPSR1
SCHEMBL3879458 0.73 MGLL (0.71) MGLLTLR9ALDH1A1NR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11905537-B2 Bifunction chemical epigenetic modifiers and methods of use THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2024-02-20 US disclosed
EP-4297795-A1 METHODS AND SORTILIN BINDING CONJUGATE COMPOUNDS FOR TARGETING CANCER STEM CELLS Transfert Plus, Société en Commandite (CA) 2024-01-03 EP disclosed
US-20210355476-A1 BIFUNCTION CHEMICAL EPIGENENTIC MODIFIERS AND METHODS OF USE THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2021-11-18 US disclosed
EP-3844190-A1 METHODS AND COMPOUNDS FOR TARGETING SORTILIN RECEPTORS AND INHIBITING VASCULOGENIC MIMICRY Transfert Plus, S.E.C. (CA) 2021-07-07 EP disclosed
WO-2020037434-A1 METHODS AND COMPOUNDS FOR TARGETING SORTILIN RECEPTORS AND INHIBITING VASCULOGENIC MIMICRY TRANSFERT PLUS, S.E.C. (CA) 2020-02-27 WO disclosed
WO-2019028426-A1 BIFUNCTIONAL CHEMICAL EPIGENENTIC MODIFIERS AND METHODS OF USE THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2019-02-07 WO disclosed
EP-3380495-A1 PEPTIDE COMPOUNDS AND PEPTIDE CONJUGATES FOR THE TREATMENT OF CANCER THROUGH RECEPTOR-MEDIATED CHEMOTHERAPY Transfert Plus, S.E.C. (CA) 2018-10-03 EP disclosed
WO-2017088058-A1 PEPTIDE COMPOUNDS AND PEPTIDE CONJUGATES FOR THE TREATMENT OF CANCER THROUGH RECEPTOR-MEDIATED CHEMOTHERAPY TRANSFERT PLUS, S.E.C. (CA) 2017-06-01 WO disclosed
EP-2885318-A1 PEPTIDE-DENDRIMER CONJUGATES AND USES THEREOF Angiochem Inc. (CA) 2015-06-24 EP disclosed
WO-2014026283-A1 PEPTIDE-DENDRIMER CONJUGATES AND USES THEREOF ANGIOCHEM INC. (CA) 2014-02-20 WO disclosed
WO-2013013700-A1 MULTIVALENT ANTIGEN-BINDING FV MOLECULE AFFIMED THERAPEUTICS AG (DE) 2013-01-31 WO disclosed
WO-2012027493-A1 MOLECULAR IMAGING OF CANCER CELLS IN VIVO H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2012-03-01 WO disclosed
US-7727720-B2 Methods for detection of genetic disorders RAVGEN, INC. (US) 2010-06-01 US disclosed
US-7442506-B2 Methods for detection of genetic disorders RAVGEN, INC. (US) 2008-10-28 US disclosed
US-20070178478-A1 Methods for detection of genetic disorders RAVGEN, INC. 2007-08-02 US disclosed
US-20060160105-A1 Methods for detection of genetic disorders RAVGEN, INC. (US) 2006-07-20 US disclosed
US-20060140858-A1 Drug pre-targeting by means of bi-specific antibodies and hapten constructs comprising a carrier peptide and the active agent(s) IMMUNOMEDICS, INC. (US) 2006-06-29 US disclosed
US-20060121452-A1 Methods for detection of genetic disorders RAVGEN, INC. (US) 2006-06-08 US 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-20060140858-A1 Drug pre-targeting by means of bi-specific antibodies and hapten constructs comprising a carrier peptide and the active agent(s) MAN2B2, FUCA1, PREP MGLL 1987/4885TLR9 771/4885CYP1A2 2940/4885

“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.