SCHEMBL4428703

SCHEMBL4428703

O=C(CC1Nc2ccccc2NC1=O)NCCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 17/20 1.00
ALDH1A1 P00352 16/20 1.00
TAAR1 Q96RJ0 1/20 1.00
HSD17B10 Q99714 13/20 0.77
MAPT P10636 7/20 0.77
HPGD P15428 7/20 0.77
POLB P06746 3/20 0.77
MAPK1 P28482 2/20 0.77
MEN1 O00255 4/20 0.69
KMT2A Q03164 4/20 0.69
HTT P42858 3/20 0.69
RAB9A P51151 2/20 0.64
GAA P10253 5/20 0.64
ALOX15 P16050 6/20 0.63
SMN1; SMN2 Q16637 2/20 0.58
TP53 P04637 2/20 0.58
NPC1 O15118 1/20 0.58
TSHR P16473 1/20 0.56
NTSR1 P30989 1/20 0.55

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
SCHEMBL13598876 0.90 KDM4E (0.82) KDM4EALDH1A1TAAR1HSD17B10MAPT
SCHEMBL4417733 0.90 KDM4E (0.82) KDM4EALDH1A1TAAR1HSD17B10MAPT
SCHEMBL5773842 0.87 KDM4E (0.77) KDM4EALDH1A1TAAR1HSD17B10MAPT
SCHEMBL6701145 0.87 KDM4E (0.77) KDM4EALDH1A1TAAR1HSD17B10MAPT
SCHEMBL4418592 0.87 KDM4E (0.77) KDM4EALDH1A1TAAR1HSD17B10MAPT
SCHEMBL2870661 0.80 ALDH1A1 (0.67) KDM4EALDH1A1TAAR1HSD17B10MAPT
SCHEMBL2869386 0.80 ALDH1A1 (0.67) KDM4EALDH1A1TAAR1HSD17B10MAPT
SCHEMBL4420851 0.77 ALDH1A1 (0.74) KDM4EALDH1A1TAAR1HSD17B10MAPT
SCHEMBL4425365 0.77 ALDH1A1 (0.74) KDM4EALDH1A1TAAR1HSD17B10MAPT
SCHEMBL2875788 0.77 ALDH1A1 (0.64) KDM4EALDH1A1TAAR1HSD17B10MAPT

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-7635775-B2 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2009-12-22 US disclosed
US-7183281-B2 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2007-02-27 US disclosed
US-20060293332-A1 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2006-12-28 US disclosed
US-7056937-B2 Sulfonylquinoxalone derivatives as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2006-06-06 US disclosed
US-20040147519-A1 Sulfonylquinoxalone acetamide derivatives as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2004-07-29 US disclosed
US-20040147520-A1 Sulfonylquinoxalone acetamide derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2004-07-29 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 (3 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-20060293332-A1 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists BDKRB2, BDKRB1, PDXK KDM4E 3303/4885ALDH1A1 3104/4885TAAR1 1545/4885
US-20040147519-A1 Sulfonylquinoxalone acetamide derivatives as bradykinin antagonists BDKRB2, BDKRB1, HRH2 KDM4E 3082/4885ALDH1A1 2364/4885TAAR1 1323/4885
US-20040147520-A1 Sulfonylquinoxalone acetamide derivatives and related compounds as bradykinin antagonists BDKRB2, BDKRB1, PDXK KDM4E 3560/4885ALDH1A1 2366/4885TAAR1 1356/4885

“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.