SCHEMBL4532061

SCHEMBL4532061

OCCCOc1ccc2cc(I)ccc2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
PDE2A O00408 2/20 0.37
PDE3B Q13370 2/20 0.37
PDE3A Q14432 2/20 0.37
P2RY12 Q9H244 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PI4KA P42356 1/20 0.34
PIK3CG P48736 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
SCN7A Q01118 6/20 0.34
KCNH2 Q12809 5/20 0.33
NCF1 P14598 3/20 0.32
SRC P12931 1/20 0.32
SCN5A Q14524 1/20 0.32

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
SCHEMBL4542194 0.92 PIK3CD (0.40) HDAC1HDAC2PDE2APDE3BPDE3A
SCHEMBL29455889 0.81 BACE1 (0.45) HDAC1HDAC2PDE2APDE3BPDE3A
SCHEMBL4526481 0.80 HTR7 (0.48) MEN1MAPTKMT2A
SCHEMBL4537311 0.79 SIGMAR1 (0.43) MAPTKMT2A
SCHEMBL4537398 0.77 SCN7A (0.52) MEN1MAPTKMT2ASCN7A
SCHEMBL4536226 0.76 SCN7A (0.58) MEN1MAPTKMT2ASCN7A
SCHEMBL12017187 0.75 PDE3B (0.44) HDAC1PDE2APDE3BPDE3AP2RY12
SCHEMBL29455719 0.73 BACE1 (0.46) HDAC1HDAC2PDE3BPDE3AP2RY12
SCHEMBL7270843 0.73 APP (0.41) HDAC1HDAC2KMT2ANCF1
SCHEMBL6607586 0.71 MEN1 (0.56) MEN1MAPTKMT2ALTB4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264426-A1 Bicyclic aromatic substituted pyridone derivative MSD K.K. (JP) 2009-10-22 US disclosed
EP-1939194-A1 BICYCLIC AROMATIC SUBSTITUTED PYRIDONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-07-02 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-20090264426-A1 Bicyclic aromatic substituted pyridone derivative PYCR1, CHRM1, MTR HDAC1 964/4885HDAC2 1155/4885PDE2A 3827/4885

“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.