SCHEMBL14425367

SCHEMBL14425367

Cc1cccc(N(C)C2N=C(c3ccccc3)c3cc(Cl)ccc3N(CC(=O)C(C)(C)C)C2=O)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 2/20 0.54
TP53 P04637 2/20 0.47
HTR2B P41595 1/20 0.45
PDE4D Q08499 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 1/20 0.44
OPRK1 P41145 1/20 0.44
PDE3A Q14432 1/20 0.44
MAPT P10636 2/20 0.44
CCKBR P32239 1/20 0.43
MCL1 Q07820 1/20 0.43

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
SCHEMBL5415954 0.87 CCKAR (0.48) CCKARTP53HTR2BPDE4DNPSR1
SCHEMBL5417682 0.81 OPRK1 (0.65) CCKARTP53HTR2BPDE4DNPSR1
SCHEMBL1574368 0.80 CCKAR (0.84) CCKARCCKBR
SCHEMBL1574365 0.80 CCKAR (0.84) CCKARCCKBR
SCHEMBL1574249 0.78 CCKAR (0.68) CCKARCCKBR
SCHEMBL1574247 0.78 CCKAR (0.68) CCKARCCKBR
SCHEMBL8667987 0.75 HTR2B (0.51) CCKARTP53HTR2BPDE4DNPSR1
SCHEMBL25411419 0.74 CCKBR (0.56) TP53HTR2BPDE4DNPSR1ALDH1A1
SCHEMBL6940247 0.74 NPSR1 (0.68) TP53NPSR1ALDH1A1SMN1; SMN2LMNA
SCHEMBL25411426 0.74 CCKBR (0.56) TP53HTR2BPDE4DNPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070185094-A1 Novel 3-substitued-1,4-benzodiazepines ASTON UNIVERSITY (GB) 2007-08-09 US disclosed
US-20070185094-A1 Novel 3-substitued-1,4-benzodiazepines ASTON UNIVERSITY (GB) 2007-08-09 US 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-20070185094-A1 Novel 3-substitued-1,4-benzodiazepines CCKBR, CCKAR, GABRB1 CCKAR 2/4885TP53 4751/4885HTR2B 75/4885

“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.