SCHEMBL5485199

SCHEMBL5485199

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 2/20 0.42
CRBN Q96SW2 2/20 0.42
PTPN11 Q06124 1/20 0.42
HDAC1 Q13547 4/20 0.41
HDAC6 Q9UBN7 3/20 0.40
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
PDE2A O00408 2/20 0.38
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
ADRA2A P08913 1/20 0.35
DRD5 P21918 1/20 0.35
DRD3 P35462 1/20 0.35

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
SCHEMBL5492334 0.85 HDAC1 (0.40) HDAC1HDAC6TP53MAPTPDE2A
SCHEMBL5034699 0.83 PDE2A (0.56) DDB1CRBNPTPN11HDAC1HDAC6
SCHEMBL5492583 0.82 GABRA1 (0.48) HDAC1HDAC6TP53MAPTPDE2A
SCHEMBL4709442 0.80 HDAC1 (0.39) DDB1CRBNPTPN11HDAC1HDAC6
SCHEMBL4709463 0.79 DDB1 (0.41) DDB1CRBNPTPN11HDAC1HDAC6
SCHEMBL5034714 0.78 PDE2A (0.61) DDB1CRBNPTPN11HDAC1HDAC6
SCHEMBL5486274 0.77 HDAC1 (0.41) HDAC1HDAC6TP53MAPTPDE2A
SCHEMBL5486804 0.76 PDE2A (0.48) TP53MAPTPDE2AGABRA1GABRG2
SCHEMBL5484931 0.76 TP53 (0.51) TP53MAPTPDE2AGABRA1GABRG2
SCHEMBL5489965 0.76 TP53 (0.52) TP53MAPTPDE2AGABRA1GABRG2

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 DDB1 2658/4885CRBN 2436/4885PTPN11 2340/4885

“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.