SCHEMBL9937700

SCHEMBL9937700

O=C(O)c1ccc(Cc2cccc(F)c2)c(F)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.54
SNCA P37840 1/20 0.49
RXRA P19793 1/20 0.49
KDM4C Q9H3R0 2/20 0.48
KDM5A P29375 1/20 0.48
KDM5B Q9UGL1 1/20 0.48
HCAR2 Q8TDS4 1/20 0.48
TAS2R14 Q9NYV8 3/20 0.47
PTPN1 P18031 1/20 0.46
SLC1A1 P43005 2/20 0.44
PPARA Q07869 1/20 0.43
TSHR P16473 1/20 0.43
EPHX2 P34913 1/20 0.43
NR1H4 Q96RI1 1/20 0.43

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
SCHEMBL27869431 0.87 TSHR (0.53) NR4A2KDM4CKDM5AKDM5BHCAR2
SCHEMBL19067568 0.85 RXRA (0.47) NR4A2SNCARXRAPTPN1TSHR
SCHEMBL11820084 0.85 NR4A2 (0.51) NR4A2RXRAKDM4CKDM5AKDM5B
SCHEMBL9937243 0.83 MRGPRX4 (0.54) NR4A2SNCAPTPN1
SCHEMBL9937934 0.82 NR4A2 (0.63) NR4A2KDM4CKDM5AKDM5BHCAR2
SCHEMBL9938831 0.81 NR4A2 (0.63) NR4A2RXRAKDM4CKDM5AKDM5B
SCHEMBL27147458 0.79 MRGPRX4 (0.62) RXRAKDM4CKDM5AKDM5BPTPN1
SCHEMBL28117926 0.78 TSHR (0.57) NR4A2HCAR2PTPN1TSHR
SCHEMBL28780702 0.78 NR4A2 (0.55) NR4A2KDM4CKDM5AKDM5BHCAR2
SCHEMBL11828345 0.78 RXRA (0.53) RXRAKDM4CKDM5AKDM5BTAS2R14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2651888-B1 N-((1H-indol-3-yl)-alkyl)-4-benzyl)benzamide and N-((1H-pyrrolo[2,3-b]pyridin-3-yl)-alkyl)-4-benzyl)benzamide derivatives as alpha synuclein aggregation inhibitors for the treatment of neurodegenerative disorders UNIV LEUVEN KATH (BE) 2017-05-17 EP disclosed
US-9266832-B2 Compounds for the treatment of neurodegenerative diseases Katholieke Universiteit Levun (BE) 2016-02-23 US disclosed
EP-2651888-A1 NEW COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES Katholieke Universiteit Leuven K.U. Leuven R&D (BE) 2013-10-23 EP disclosed
US-20130274260-A1 NEW COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES REMYND (BE) 2013-10-17 US disclosed
WO-2012080221-A1 NEW COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2012-06-21 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-20130274260-A1 NEW COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, MAPT, PSEN1 NR4A2 3464/4885SNCA 1/4885RXRA 3596/4885

“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.