SCHEMBL4411561

SCHEMBL4411561

COc1cc2c(c(OC)c1-c1ccccc1)C(c1cccc(C(N)=O)c1)=NCC(=O)N2Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.58
PTGDR2 Q9Y5Y4 9/20 0.49
TP53 P04637 4/20 0.43
GAA P10253 2/20 0.42
TSHR P16473 1/20 0.42
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
BRD4 O60885 1/20 0.40
LMNA P02545 1/20 0.39
FYN P06241 1/20 0.38

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
SCHEMBL4423000 0.92 PTGDR2 (0.55) PDE2APTGDR2TP53GAAMAPT
SCHEMBL4424399 0.91 PDE2A (0.60) PDE2APTGDR2TP53TSHRMAPT
SCHEMBL4414019 0.90 PDE2A (0.57) PDE2APTGDR2TP53MAPTLMNA
SCHEMBL4412620 0.90 PDE2A (0.60) PDE2APTGDR2TP53MAPTFYN
SCHEMBL4414065 0.88 PDE2A (0.56) PDE2APTGDR2TP53TSHRMAPT
SCHEMBL4707864 0.88 PDE2A (0.67) PDE2APTGDR2TP53GAATSHR
SCHEMBL4412658 0.87 PDE2A (0.72) PDE2ALMNAFYN
SCHEMBL4602359 0.87 PDE2A (0.58) PDE2APTGDR2TP53MAPTFYN
SCHEMBL4410796 0.84 PTGDR2 (0.47) PDE2APTGDR2TP53GAATSHR
SCHEMBL5038881 0.84 PDE2A (0.67) PDE2APTGDR2TP53GAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215752-A1 Compounds, preparation and therapeutic use thereof BAY CITY CAPITAL LLC 2009-08-27 US claimed
EP-1910315-A2 BENZODIAZEPINE DERIVATIVES, THEIR PREPARATION AND THE THERAPEUTIC USE THEREOF NEURO3D (FR) 2008-04-16 EP claimed
WO-2007026254-A2 BENZODIAZEPINE DERIVATIVES , THEIR PREPARATION AND THE THERAPEUTIC USE THEREOF NEURO3D (FR) 2007-03-08 WO claimed
EP-1749824-A1 Benzodiazepine derivatives, their preparation and the therapeutic use thereof NEURO3D (FR) 2007-02-07 EP claimed
US-20090215752-A1 Compounds, preparation and therapeutic use thereof BAY CITY CAPITAL LLC 2009-08-27 US disclosed
EP-1910315-A2 BENZODIAZEPINE DERIVATIVES, THEIR PREPARATION AND THE THERAPEUTIC USE THEREOF NEURO3D (FR) 2008-04-16 EP disclosed
WO-2007026254-A2 BENZODIAZEPINE DERIVATIVES , THEIR PREPARATION AND THE THERAPEUTIC USE THEREOF NEURO3D (FR) 2007-03-08 WO disclosed
EP-1749824-A1 Benzodiazepine derivatives, their preparation and the therapeutic use thereof NEURO3D (FR) 2007-02-07 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-20090215752-A1 Compounds, preparation and therapeutic use thereof PDE12, PDE4B, PDE2A PDE2A 3/4885PTGDR2 48/4885TP53 4884/4885

“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.