SCHEMBL5517638

SCHEMBL5517638

N#Cc1ccc[c]c1-c1cc(Cl)cc(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.35
ADORA2A P29274 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
GRIA1 P42261 1/20 0.33
CACNG8 Q8WXS5 1/20 0.33
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MCL1 Q07820 1/20 0.31
GPR35 Q9HC97 1/20 0.31
TRPV4 Q9HBA0 1/20 0.31
LRRK2 Q5S007 1/20 0.31
TSHR P16473 1/20 0.31
ADORA2B P29275 1/20 0.30

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
SCHEMBL5325379 0.78 TSHR (0.39) ADORA1ADORA2AKDM4EALDH1A1GAA
SCHEMBL8451921 0.73 MAP4K4 (0.40) ADORA1ADORA2AKDM4ECYP11B1CYP11B2
SCHEMBL10936903 0.73 ESR2 (0.33) GAATSHR
SCHEMBL9649078 0.73 TSHR (0.31) TSHR
SCHEMBL28360893 0.73 L3MBTL1 (0.35) ALDH1A1GAATSHR
SCHEMBL350814 0.71
SCHEMBL1804807 0.71 AR (0.43)
SCHEMBL1206349 0.71 ESR2 (0.44) KDM4EALDH1A1TSHR
SCHEMBL8318853 0.70 AR (0.38) KDM4EALDH1A1GAA
SCHEMBL8809452 0.70 CTSS (0.47) KDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070093545-A1 4-Oxo-4,5-dihydro-furan-2-carboxylic acid derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. (US) 2007-04-26 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-20070093545-A1 4-Oxo-4,5-dihydro-furan-2-carboxylic acid derivatives and methods of treatment of metabolic-related disorders thereof ABAT, G6PD, GLS2 ADORA1 1910/4885ADORA2A 1276/4885KDM4E 868/4885

“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.