SCHEMBL5038191

SCHEMBL5038191

COc1ccc(C2=NCC(=O)Nc3cc(OC)c(-c4ccccc4)cc32)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 3/20 0.58
TUBB P07437 3/20 0.58
TUBA3C P0DPH7 3/20 0.58
TUBA1B P68363 3/20 0.58
TUBA4A P68366 3/20 0.58
TUBB4B P68371 3/20 0.58
TUBB3 Q13509 3/20 0.58
TUBB2A Q13885 3/20 0.58
TUBB8 Q3ZCM7 3/20 0.58
TUBA3E Q6PEY2 3/20 0.58
TUBA1A Q71U36 3/20 0.58
TUBA1C Q9BQE3 3/20 0.58
TUBB6 Q9BUF5 3/20 0.58
TUBB2B Q9BVA1 3/20 0.58
TUBB1 Q9H4B7 3/20 0.58
GABRA1 P14867 2/20 0.53
GABRG2 P18507 2/20 0.53
GABRB3 P28472 2/20 0.53
GABRA5 P31644 2/20 0.53
GABRA3 P34903 2/20 0.53

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
SCHEMBL5034663 0.90 KMT2A (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5349947 0.87 GABRA1 (0.62) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5042572 0.85 TUBB4A (0.61) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5042518 0.85 KMT2A (0.65) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4709615 0.83 PDE4D (0.67) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5349682 0.83 TUBB4A (0.72) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5044328 0.83 GABRA1 (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6627733 0.82 TUBB4A (0.67) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8726318 0.81 GABRA1 (0.72) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5486155 0.80 GABRA1 (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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-20070123519-A1 Benzo-1,4-diazepin-2-one derivatives as phosphodiesterase pde2 inhibitors, preparation and therapeutic use thereof BAY CITY CAPITAL LLC 2007-05-31 US claimed
EP-1548011-A1 Benzo[1,4]diazepin-2-one derivatives as phosphodiesterase PDE2 inhibitors, preparation and therapeutic use thereof NEURO3D (FR) 2005-06-29 EP claimed
US-7410963-B2 To treat diseases associated with abnormal regulation of intracellular cAMP and/or cGMP rate and abnormal regulation of neurotransmitter effect, with no perturbating effect on memory; autoinflammatory disorders; 3-(8-Methoxy-1-methyl-2-oxo-7-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-5-yl)-benzonitrile VIA PHARMACEUTICALS, INC. (US) 2008-08-12 US disclosed
US-20070123519-A1 Benzo-1,4-diazepin-2-one derivatives as phosphodiesterase pde2 inhibitors, preparation and therapeutic use thereof BAY CITY CAPITAL LLC 2007-05-31 US disclosed
EP-1548011-A1 Benzo[1,4]diazepin-2-one derivatives as phosphodiesterase PDE2 inhibitors, preparation and therapeutic use thereof NEURO3D (FR) 2005-06-29 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-20070123519-A1 Benzo-1,4-diazepin-2-one derivatives as phosphodiesterase pde2 inhibitors, preparation and therapeutic use thereof PDE12, PDE2A, PDE3A TUBB4A 2980/4885TUBB 2223/4885TUBA3C 2533/4885

“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.