SCHEMBL6003897

SCHEMBL6003897

O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=NC1NC(=O)[C@@H](Cc1ccc(Cl)c(Cl)c1)c1cccs1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 8/20 0.53
CCKAR P32238 2/20 0.49
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
ALB P02768 1/20 0.47
KMT2A Q03164 1/20 0.47
CHRM1 P11229 1/20 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
SCHEMBL6005237 0.86 CCKBR (0.57) CCKBRCCKARMEN1LMNAALB
SCHEMBL643718 0.79 CCKBR (0.62) CCKBRCCKARMEN1LMNAALB
SCHEMBL7099433 0.79 CCKBR (0.61) CCKBRCCKAR
SCHEMBL6003807 0.79 CCKBR (0.66) CCKBRCCKAR
SCHEMBL6005226 0.78 CCKBR (0.58) CCKBRCCKAR
SCHEMBL643974 0.77 CHRM1 (0.65) CCKBRCCKARMEN1LMNAALB
SCHEMBL3968115 0.76 MEN1 (0.56) CCKBRCCKARMEN1LMNAALB
SCHEMBL4819173 0.76 MEN1 (0.69) CCKBRCCKARMEN1LMNAALB
SCHEMBL6005106 0.75 CCKBR (0.53) CCKBRCCKAR
SCHEMBL641962 0.74 MEN1 (0.66) CCKBRCCKARMEN1LMNAALB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7105509-B2 Benzodiazepine derivatives as APP modulators MERCK SHARP & DOHME LIMITED (GB) 2006-09-12 US disclosed
US-20040082572-A1 Benzodiazepine derivatives as app modulators MERCK SHARPE & DOHME LIMITED (GB) 2004-04-29 US disclosed
EP-1294702-A1 BENZODIAZEPINE DERIVATIVES AS APP MODULATORS MERCK SHARP & DOHME LTD. (GB) 2003-03-26 EP disclosed
WO-2001090084-A1 BENZODIAZEPINE DERIVATIVES AS APP MODULATORS MERCK SHARP & DOHME LIMITED (GB) 2001-11-29 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-20040082572-A1 Benzodiazepine derivatives as app modulators BACE1, PSEN1, APP CCKBR 642/4885CCKAR 838/4885MEN1 3871/4885

“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.