SCHEMBL2329249

SCHEMBL2329249

CN(C(=O)OC(C)(C)C)c1ccc2ccccc2c1-c1c(C(=O)O)ccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.56
LDHA P00338 1/20 0.41
NR4A1 P22736 1/20 0.38
NR4A2 P43354 1/20 0.38
NR4A3 Q92570 1/20 0.38
SOS1 Q07889 1/20 0.37
BRD4 O60885 1/20 0.36
PAX8 Q06710 1/20 0.36
NCEH1 Q6PIU2 7/20 0.36
LMNA P02545 1/20 0.35
CDC25B P30305 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 1/20 0.35
HPGD P15428 1/20 0.34
PTPN1 P18031 1/20 0.34
BACE1 P56817 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL2325146 0.89 WDR5 (0.41) WDR5BRD4PAX8NCEH1LMNA
SCHEMBL27604376 0.82 BRD4 (0.40) WDR5LDHANR4A1NR4A2NR4A3
SCHEMBL2328990 0.81 SLC22A12 (0.46) BRD4PAX8NCEH1LMNAKDM4E
SCHEMBL2330332 0.75 WDR5 (0.59) WDR5LDHANR4A1NR4A2NR4A3
SCHEMBL29721418 0.75 WDR5 (1.00) WDR5LDHANR4A1NR4A2NR4A3
SCHEMBL895573 0.75 WDR5 (1.00) WDR5LDHANR4A1NR4A2NR4A3
SCHEMBL22610043 0.74 WDR5 (0.56) WDR5LDHANR4A1NR4A2NR4A3
SCHEMBL28616134 0.74 WDR5 (0.66) WDR5LDHANR4A1NR4A2NR4A3
SCHEMBL2325577 0.73 WDR5 (0.51) WDR5LDHANR4A1NR4A2NR4A3
SCHEMBL27623621 0.72 BRD4 (0.40) NR4A2BRD4PAX8NCEH1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110251393-A1 HELICENE DERIVATIVE, AXIALLY ASYMMETRIC AMINO ACID, AMINE OR AMINOALCOHOL DERIVATIVE, PERYLENE DERIVATIVE OR SALT THEREOF, AND METHODS FOR PRODUCING SAME KYOTO UNIVERSITY (JP) 2011-10-13 US disclosed
US-20110251393-A1 HELICENE DERIVATIVE, AXIALLY ASYMMETRIC AMINO ACID, AMINE OR AMINOALCOHOL DERIVATIVE, PERYLENE DERIVATIVE OR SALT THEREOF, AND METHODS FOR PRODUCING SAME KYOTO UNIVERSITY (JP) 2011-10-13 US disclosed
EP-2357177-A1 HELICENE DERIVATIVE, AXIALLY ASYMMETRIC AMINO ACID, AMINE OR AMINOALCOHOL DERIVATIVE, PERYLENE DERIVATIVE OR SALT THEREOF, AND METHODS FOR PRODUCING SAME Kyoto University (JP) 2011-08-17 EP disclosed
EP-2357177-A1 HELICENE DERIVATIVE, AXIALLY ASYMMETRIC AMINO ACID, AMINE OR AMINOALCOHOL DERIVATIVE, PERYLENE DERIVATIVE OR SALT THEREOF, AND METHODS FOR PRODUCING SAME Kyoto University (JP) 2011-08-17 EP disclosed
WO-2010047318-A1 HELICENE DERIVATIVE, AXIALLY ASYMMETRIC AMINO ACID, AMINE OR AMINOALCOHOL DERIVATIVE, PERYLENE DERIVATIVE OR SALT THEREOF, AND METHODS FOR PRODUCING SAME 国立大学法人京都大学 (JP) 2010-04-29 WO disclosed
WO-2010047318-A1 HELICENE DERIVATIVE, AXIALLY ASYMMETRIC AMINO ACID, AMINE OR AMINOALCOHOL DERIVATIVE, PERYLENE DERIVATIVE OR SALT THEREOF, AND METHODS FOR PRODUCING SAME 国立大学法人京都大学 (JP) 2010-04-29 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-20110251393-A1 HELICENE DERIVATIVE, AXIALLY ASYMMETRIC AMINO ACID, AMINE OR AMINOALCOHOL DERIVATIVE, PERYLENE DERIVATIVE OR SALT THEREOF, AND METHODS FOR PRODUCING SAME AADAT, AASDHPPT, AZI2 WDR5 2191/4885LDHA 2387/4885NR4A1 2064/4885

“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.