SCHEMBL4820771

SCHEMBL4820771

O=C1[C]N=C(c2ccccc2)c2cc(Cl)ccc2N1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.60
NTSR1 P30989 1/20 0.60
OPRK1 P41145 1/20 0.60
PDE4D Q08499 1/20 0.60
MEN1 O00255 1/20 0.57
LMNA P02545 1/20 0.57
ALB P02768 1/20 0.57
KMT2A Q03164 1/20 0.57
CHRM1 P11229 11/20 0.54
ALDH1A1 P00352 1/20 0.53
PKM P14618 1/20 0.53
HTT P42858 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
CCNE2 O96020 1/20 0.51
CCNE1 P24864 1/20 0.51
CDK2 P24941 1/20 0.51
CCKBR P32239 2/20 0.51

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
SCHEMBL4790341 0.82 GABRA1 (0.54) MEN1LMNAKMT2ACHRM1ALDH1A1
SCHEMBL13584771 0.76 MEN1 (0.61) CNR1NTSR1OPRK1PDE4DMEN1
SCHEMBL13584770 0.76 MEN1 (0.61) CNR1NTSR1OPRK1PDE4DMEN1
Nordazepam SCHEMBL78453 0.75 PDE4D (1.00) CNR1NTSR1OPRK1PDE4DMEN1
Nordazepam SCHEMBL29354494 0.75 PDE4D (1.00) CNR1NTSR1OPRK1PDE4DMEN1
Nordazepam SCHEMBL31000330 0.75 PDE4D (1.00) CNR1NTSR1OPRK1PDE4DMEN1
Nordazepam SCHEMBL8090999 0.75 PDE4D (1.00) CNR1NTSR1OPRK1PDE4DMEN1
SCHEMBL10812464 0.74 LMNA (0.74) CNR1NTSR1OPRK1PDE4DMEN1
Oxazepam SCHEMBL9614141 0.73 LMNA (1.00) CNR1NTSR1OPRK1PDE4DMEN1
Oxazepam SCHEMBL5498881 0.73 LMNA (1.00) CNR1NTSR1OPRK1PDE4DMEN1

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-7375101-B2 Benzodiazepine derivatives, preparation thereof and use thereof ASTRAZENECA AB (SE) 2008-05-20 US disclosed
US-20050176699-A1 Benzodiazepine derivatives, preparation thereof and use thereof ASTRAZENECA AB (SE) 2005-08-11 US disclosed
EP-1458691-A2 BENZODIAZEPINE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF AstraZeneca AB (SE) 2004-09-22 EP disclosed
WO-2003051274-A2 BENZODIAZEPINE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF ASTRAZENECA AB (SE) 2003-06-26 WO disclosed
WO-2003051275-A2 BENZODIAZEPINE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF ASTRAZENECA AB (SE) 2003-06-26 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-20050176699-A1 Benzodiazepine derivatives, preparation thereof and use thereof GABRA1, GABRA3, GABRA4 CNR1 24/4885NTSR1 603/4885OPRK1 9/4885

“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.