SCHEMBL5486274

SCHEMBL5486274

CCN1C(=O)CN=C(c2ccc(C#CCOCc3ccccc3)cc2)c2cc(OC)c(OC)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.41
GABRA1 P14867 3/20 0.41
GABRG2 P18507 3/20 0.41
GABRB3 P28472 3/20 0.41
GABRA5 P31644 3/20 0.41
GABRA3 P34903 3/20 0.41
GABRA2 P47869 3/20 0.41
HDAC6 Q9UBN7 3/20 0.40
TP53 P04637 3/20 0.40
MAPT P10636 1/20 0.40
MMP2 P08253 2/20 0.39
MMP12 P39900 2/20 0.39
GABRB2 P47870 1/20 0.39
PDE2A O00408 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
PTAFR P25105 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36

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
SCHEMBL4708427 0.93 PDE2A (0.42) HDAC1GABRA1GABRG2GABRB3GABRA5
SCHEMBL5492583 0.88 GABRA1 (0.48) HDAC1GABRA1GABRG2GABRB3GABRA5
SCHEMBL5490400 0.83 PTGDR2 (0.47) TP53MAPTPDE2APTGDR2
SCHEMBL5484931 0.82 TP53 (0.51) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5489965 0.82 TP53 (0.52) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5493792 0.82 PDE2A (0.48) HDAC1GABRA1GABRG2GABRB3GABRA5
SCHEMBL5492334 0.79 HDAC1 (0.40) HDAC1GABRA1GABRG2GABRB3GABRA5
SCHEMBL5485199 0.77 DDB1 (0.42) HDAC1GABRA1GABRG2GABRB3GABRA5
SCHEMBL5492932 0.77 TP53 (0.60) TP53MAPTPTGDR2
SCHEMBL5486804 0.77 PDE2A (0.48) GABRA1GABRG2GABRB3GABRA5GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040152888-A1 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses thereof BAY CITY CAPITAL LLC 2004-08-05 US claimed
US-7250410-B2 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses thereof VIA PHARMACEUTICALS, INC. (US) 2007-07-31 US disclosed
US-20040152888-A1 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses thereof BAY CITY CAPITAL LLC 2004-08-05 US disclosed
EP-1392663-A2 CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS, PREPARATION AND USES THEREOF NEURO3D (FR) 2004-03-03 EP disclosed
WO-2002098865-A2 CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS, PREPARATION AND USES THEREOF NEURO3D (FR) 2002-12-12 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-20040152888-A1 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses thereof PDE7A, PDE3B, PDE3A HDAC1 1033/4885GABRA1 92/4885GABRG2 194/4885

“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.