SCHEMBL6136764

SCHEMBL6136764

CC(=O)Oc1cnccc1CCCOc1cccnc1Oc1cccc(Br)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.57
PDE4B Q07343 1/20 0.57
PDE4C Q08493 1/20 0.57
PDE4D Q08499 1/20 0.57
ALDH1A1 P00352 5/20 0.40
KMT2A Q03164 4/20 0.40
CYP2C9 P11712 3/20 0.40
CYP1A2 P05177 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
DGAT2 Q96PD7 2/20 0.35
GRM5 P41594 1/20 0.35
ICAM1 P05362 1/20 0.35
SELE P16581 1/20 0.35
HTT P42858 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
SCHEMBL6136802 0.89 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL6136790 0.88 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL6136837 0.88 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL6802862 0.87 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL6136630 0.84 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DALDH1A1
Fumaric Acid SCHEMBL6800566 0.84 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DALDH1A1
Fumaric Acid SCHEMBL6800568 0.84 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL6136981 0.81 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL6136943 0.79 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL6136906 0.77 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1120409-B1 2,3-DISUBSTITUTED PYRIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, DRUG COMPOSITIONS CONTAINING THE SAME AND INTERMEDIATES FOR THE PREPARATION DAINIPPON PHARMACEUTICAL CO (JP) 2005-01-26 EP disclosed
US-20030195232-A1 2,3-Disubstituted pyridine derivative, process for the preparation thereof, pharmaceutical composition containing the same, and intermediate therefor KAWASAKI MOTOJI (JP) 2003-10-16 US disclosed
EP-1120409-A1 2,3-DISUBSTITUTED PYRIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, DRUG COMPOSITIONS CONTAINING THE SAME AND INTERMEDIATES FOR THE PREPARATION Dainippon Pharmaceutical Co., Ltd. (JP) 2001-08-01 EP 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-20030195232-A1 2,3-Disubstituted pyridine derivative, process for the preparation thereof, pharmaceutical composition containing the same, and intermediate therefor NOX1, CYP4A11, PDE12 PDE4A 16/4885PDE4B 13/4885PDE4C 52/4885

“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.