SCHEMBL21272131

SCHEMBL21272131

COc1ccc(NC(=O)C(NC(=O)O)C(C)C)c(C(=O)c2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
LMNA P02545 3/20 0.54
HTT P42858 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
ALDH1A1 P00352 4/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C19 P33261 2/20 0.51
HPGD P15428 2/20 0.51
PGR P06401 1/20 0.51
CYP2D6 P10635 1/20 0.51
SLC6A2 P23975 1/20 0.51
PDE4A P27815 1/20 0.51
MAPK1 P28482 1/20 0.51
HRH1 P35367 1/20 0.51
SLC6A3 Q01959 1/20 0.51
PDE4D Q08499 1/20 0.51
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
TSHR P16473 1/20 0.49
CYP3A4 P08684 1/20 0.48

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
SCHEMBL25410798 0.89 MAPT (0.53) MAPTLMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL25410805 0.89 MAPT (0.53) MAPTLMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL21272261 0.87 MAPT (0.47) MAPTLMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL21272258 0.87 MAPT (0.47) MAPTLMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL25409965 0.81 MEN1 (0.49) MAPTLMNAHTTSMN1; SMN2MEN1
SCHEMBL25409962 0.81 MEN1 (0.49) MAPTLMNAHTTSMN1; SMN2MEN1
SCHEMBL31366648 0.78 ALDH1A1 (0.49) MAPTLMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL26332989 0.78 ALDH1A1 (0.49) MAPTLMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL25410013 0.78 MAPT (0.50) MAPTLMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL25410017 0.78 MAPT (0.50) MAPTLMNAHTTSMN1; SMN2ALDH1A1

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-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-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 MAPT 306/4885LMNA 4098/4885HTT 929/4885
US-20190256478-A1 1,3-DIHYDRO-1,4-BENZODIAZEPINE-2-THIONES FOR THE TREATMENT OF CNS RELATED DISEASES CHRM1, CHRM2, CHRM4 MAPT 306/4885LMNA 4098/4885HTT 929/4885

“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.