SCHEMBL5034663

SCHEMBL5034663

COc1cc2c(cc1-c1ccccc1)C(c1ccc(Br)cc1)=NCC(=O)N2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.54
GABRA1 P14867 5/20 0.52
GABRA5 P31644 5/20 0.52
GABRA3 P34903 5/20 0.52
GABRA2 P47869 5/20 0.52
GABRB2 P47870 4/20 0.52
GABRG2 P18507 3/20 0.52
GABRB3 P28472 3/20 0.52
PDE4D Q08499 2/20 0.52
CNR1 P21554 1/20 0.52
NTSR1 P30989 1/20 0.52
OPRK1 P41145 1/20 0.52
TUBB4A P04350 2/20 0.49
TUBB P07437 2/20 0.49
TUBA3C P0DPH7 2/20 0.49
TUBA1B P68363 2/20 0.49
TUBA4A P68366 2/20 0.49
TUBB4B P68371 2/20 0.49
TUBB3 Q13509 2/20 0.49
TUBB2A Q13885 2/20 0.49

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
SCHEMBL5042518 0.90 KMT2A (0.65) KMT2AGABRA1GABRA5GABRA3GABRA2
SCHEMBL5038191 0.90 TUBB4A (0.58) KMT2AGABRA1GABRA5GABRA3GABRA2
SCHEMBL5490530 0.89 TUBB4A (0.55) KMT2AGABRA1GABRA5GABRA3GABRA2
SCHEMBL5044328 0.87 GABRA1 (0.49) KMT2AGABRA1GABRA5GABRA3GABRA2
SCHEMBL5349947 0.86 GABRA1 (0.62) KMT2AGABRA1GABRA5GABRA3GABRA2
SCHEMBL4709678 0.81 KMT2A (0.70) KMT2AGABRA1GABRA5GABRA3GABRA2
SCHEMBL5042572 0.80 TUBB4A (0.61) KMT2AGABRA1GABRA5GABRA3GABRA2
SCHEMBL5486155 0.79 GABRA1 (0.56) KMT2AGABRA1GABRA5GABRA3GABRA2
SCHEMBL5488651 0.79 GABRA1 (0.56) KMT2AGABRA1GABRA5GABRA3GABRA2
SCHEMBL6028341 0.79 MAPT (0.47) KMT2AGABRA1GABRA5GABRA3GABRA2

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-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 claimed
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-1697332-A1 BENZO'1,4 ! DIAZEPIN-2-ONE DERIVATIVES AS PHOSPHODIESTERASE PDE2 INHIBITORS, PREPARATION AND THERAPEUTIC USE THEREOF NEURO3D (FR) 2006-09-06 EP claimed
WO-2005063723-A1 BENZO`1,4 ! DIAZEPIN-2-ONE DERIVATIVES AS PHOSPHODIESTERASE PDE2 INHIBITORS, PREPARATION AND THERAPEUTIC USE THEREOF NEURO3D (FR) 2005-07-14 WO 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-1697332-A1 BENZO'1,4 ! DIAZEPIN-2-ONE DERIVATIVES AS PHOSPHODIESTERASE PDE2 INHIBITORS, PREPARATION AND THERAPEUTIC USE THEREOF NEURO3D (FR) 2006-09-06 EP disclosed
WO-2005063723-A1 BENZO`1,4 ! DIAZEPIN-2-ONE DERIVATIVES AS PHOSPHODIESTERASE PDE2 INHIBITORS, PREPARATION AND THERAPEUTIC USE THEREOF NEURO3D (FR) 2005-07-14 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-20070123519-A1 Benzo-1,4-diazepin-2-one derivatives as phosphodiesterase pde2 inhibitors, preparation and therapeutic use thereof PDE12, PDE2A, PDE3A KMT2A 1615/4885GABRA1 240/4885GABRA5 231/4885

“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.