SCHEMBL5034758

SCHEMBL5034758

N#Cc1cccc(C2=NCC(=O)Nc3ccc(I)cc32)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
PDE4D Q08499 2/20 0.51
CNR1 P21554 1/20 0.51
NTSR1 P30989 1/20 0.51
OPRK1 P41145 1/20 0.51
GABRA1 P14867 5/20 0.48
GABRA5 P31644 5/20 0.48
GABRA3 P34903 5/20 0.48
GABRA2 P47869 5/20 0.48
GABRB2 P47870 5/20 0.48
GABRG2 P18507 3/20 0.48
GABRB3 P28472 3/20 0.48
LMNA P02545 2/20 0.47
HPGD P15428 1/20 0.47
GABRP O00591 2/20 0.45
GABRD O14764 2/20 0.45
GABRB1 P18505 2/20 0.45
GABRA4 P48169 2/20 0.45
GABRE P78334 2/20 0.45
GABRA6 Q16445 2/20 0.45

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
SCHEMBL5034660 0.86 KMT2A (0.76) KMT2APDE4DCNR1NTSR1OPRK1
SCHEMBL4707917 0.84 KMT2A (0.53) KMT2APDE4DCNR1NTSR1OPRK1
SCHEMBL10747106 0.83 PDE4D (0.71) KMT2APDE4DCNR1NTSR1OPRK1
SCHEMBL11249580 0.82 PDE4D (0.67) KMT2APDE4DCNR1NTSR1OPRK1
SCHEMBL5485275 0.81 KMT2A (0.57) KMT2APDE4DCNR1NTSR1OPRK1
SCHEMBL4707922 0.80 TUBB4A (0.49) KMT2APDE4DCNR1NTSR1OPRK1
SCHEMBL5038225 0.78 KMT2A (0.51) KMT2APDE4DCNR1NTSR1OPRK1
SCHEMBL4708083 0.77 TUBB4A (0.62) KMT2APDE4DCNR1NTSR1OPRK1
SCHEMBL4707830 0.77 TUBB4A (0.46) KMT2APDE4DCNR1NTSR1OPRK1
SCHEMBL4711333 0.77 TUBB4A (0.46) KMT2APDE4DCNR1NTSR1OPRK1

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-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
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 KMT2A 1615/4885PDE4D 14/4885CNR1 552/4885

“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.