SCHEMBL6945511

SCHEMBL6945511

COC(=O)C1=C(CCc2ccccc2OCCN2CCCC2=O)NC(CC(=O)O)=C(C(=O)OC)C1c1c(Cl)cccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.39
MEN1 O00255 2/20 0.39
POLB P06746 1/20 0.38
ALDH1A1 P00352 4/20 0.36
GAA P10253 4/20 0.36
KDM4E B2RXH2 2/20 0.36
GLA P06280 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
USP2 O75604 1/20 0.36
ALOX15 P16050 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
IDH1 O75874 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 2/20 0.34
KIT P10721 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
SCHEMBL6943356 0.90 POLB (0.40) KMT2AMEN1POLBALDH1A1GAA
SCHEMBL6946255 0.85 KMT2A (0.33) KMT2AMEN1POLBALDH1A1GAA
SCHEMBL6945576 0.80 POLB (0.34) KMT2AMEN1POLBALDH1A1KDM4E
SCHEMBL6152414 0.78 PTAFR (0.37) KMT2AMEN1GAAKDM4EHPGD
SCHEMBL6152944 0.77 ADRA1A (0.36) KMT2AMEN1ALDH1A1GAAKDM4E
SCHEMBL7132448 0.75 CXCL8 (0.34) KMT2AMEN1ALDH1A1GAAKDM4E
SCHEMBL7240664 0.74 PPARD (0.33) KMT2AMEN1ALDH1A1GAAKDM4E
SCHEMBL6152882 0.74 POLB (0.39) KMT2AMEN1POLBALDH1A1KDM4E
SCHEMBL6153142 0.74 CYP2C9 (0.37) KMT2AMEN1ALDH1A1GAAKDM4E
SCHEMBL6152968 0.73 SLC6A4 (0.35) KMT2AMEN1ALDH1A1GAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6653313-B2 For treatment and prevention of inflammation, asthma, allergic rhinitis, pain and other disorders WARNER-LAMBERT COMPANY LLC 2003-11-25 US disclosed
EP-1307449-A1 1,4-DIHYDROPYRIDINES AS BRADYKININ ANTAGONISTS PFIZER PHARMACEUTICALS INC. (JP) 2003-05-07 EP disclosed
US-20020161006-A1 1,4-dihydropyridine compounds as bradykinin antagonists KAWAMURA MITSUHIRO (US) 2002-10-31 US disclosed
WO-2002012235-A1 1,4-DIHYDROPYRIDINES AS BRADYKININ ANTAGONISTS PFIZER PHARMACEUTICALS INC. (JP) 2002-02-14 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-20020161006-A1 1,4-dihydropyridine compounds as bradykinin antagonists BDKRB1, BDKRB2, HRH4 KMT2A 1890/4885MEN1 2435/4885POLB 4177/4885

“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.