SCHEMBL21272207

SCHEMBL21272207

CC[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 4/20 0.77
CHRM1 P11229 8/20 0.76
MEN1 O00255 1/20 0.68
LMNA P02545 1/20 0.68
ALB P02768 1/20 0.68
KMT2A Q03164 1/20 0.68

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
SCHEMBL21272212 1.00 CCKBR (0.77) CCKBRCHRM1MEN1LMNAALB
SCHEMBL21272182 0.91 CHRM1 (0.77) CCKBRCHRM1MEN1LMNAALB
SCHEMBL21272180 0.91 CHRM1 (0.77) CCKBRCHRM1MEN1LMNAALB
SCHEMBL10203612 0.88 CCKBR (0.61) CCKBRCHRM1MEN1LMNAALB
SCHEMBL11772245 0.88 CCKBR (0.73) CCKBRCHRM1MEN1LMNAALB
SCHEMBL782955 0.88 CCKBR (0.73) CCKBRCHRM1MEN1LMNAALB
SCHEMBL21272204 0.87 CCKBR (1.00) CCKBRCHRM1MEN1LMNAALB
SCHEMBL11770649 0.87 CCKBR (0.72) CCKBRCHRM1MEN1LMNAALB
SCHEMBL9526063 0.87 CCKBR (1.00) CCKBRCHRM1MEN1LMNAALB
SCHEMBL11822552 0.87 CCKBR (1.00) CCKBRCHRM1MEN1LMNAALB

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-11021448-B2 1,3-dihydro-1,4-benzodiazepine-2-thiones for the treatment of CNS related diseases HOFFMANN-LA ROCHE INC. (US) 2021-06-01 US disclosed
US-11021448-B2 1,3-dihydro-1,4-benzodiazepine-2-thiones for the treatment of CNS related diseases HOFFMANN-LA ROCHE INC. (US) 2021-06-01 US disclosed
EP-3535253-A1 1,3-DIHYDRO-1,4-BENZODIAZEPINE-2-THIONES FOR THE TREATMENT OF CNS RELATED DISEASES H. Hoffnabb-La Roche Ag (CH) 2019-09-11 EP disclosed
US-20190256478-A1 1,3-DIHYDRO-1,4-BENZODIAZEPINE-2-THIONES FOR THE TREATMENT OF CNS RELATED DISEASES HOFFMANN-LA ROCHE INC. (US) 2019-08-22 US disclosed
US-20190256478-A1 1,3-DIHYDRO-1,4-BENZODIAZEPINE-2-THIONES FOR THE TREATMENT OF CNS RELATED DISEASES HOFFMANN-LA ROCHE INC. (US) 2019-08-22 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 (2 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-11021448-B2 1,3-dihydro-1,4-benzodiazepine-2-thiones for the treatment of CNS related diseases CHRM1, CHRM2, CHRM4 CCKBR 1083/4885CHRM1 1/4885MEN1 3220/4885
US-20190256478-A1 1,3-DIHYDRO-1,4-BENZODIAZEPINE-2-THIONES FOR THE TREATMENT OF CNS RELATED DISEASES CHRM1, CHRM2, CHRM4 CCKBR 1083/4885CHRM1 1/4885MEN1 3220/4885

“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.