SCHEMBL21272258

SCHEMBL21272258

COc1ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)c(C(=O)c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 2/20 0.47
ALDH1A1 P00352 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
HPGD P15428 2/20 0.46
PGR P06401 1/20 0.46
CYP2D6 P10635 1/20 0.46
SLC6A2 P23975 1/20 0.46
PDE4A P27815 1/20 0.46
MAPK1 P28482 1/20 0.46
HRH1 P35367 1/20 0.46
SLC6A3 Q01959 1/20 0.46
PDE4D Q08499 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TSHR P16473 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL21272261 1.00 MAPT (0.47) MAPTLMNASMN1; SMN2HTTALDH1A1
SCHEMBL31366648 0.91 ALDH1A1 (0.49) MAPTLMNASMN1; SMN2HTTALDH1A1
SCHEMBL26332989 0.91 ALDH1A1 (0.49) MAPTLMNASMN1; SMN2HTTALDH1A1
SCHEMBL21272185 0.89 MAPT (0.47) MAPTLMNAMEN1KMT2ATSHR
SCHEMBL21272186 0.89 MAPT (0.47) MAPTLMNAMEN1KMT2ATSHR
SCHEMBL21272131 0.87 MAPT (0.54) MAPTLMNASMN1; SMN2HTTALDH1A1
SCHEMBL31366490 0.82 KDM4E (0.49) MAPTSMN1; SMN2HTTALDH1A1HPGD
SCHEMBL21272191 0.82 TRPA1 (0.43) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL21272193 0.82 TRPA1 (0.43) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL21272234 0.80 TRPA1 (0.45) MAPTLMNASMN1; SMN2ALDH1A1CYP1A2

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-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
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 MAPT 306/4885LMNA 4098/4885SMN1; SMN2 1455/4885
US-20190256478-A1 1,3-DIHYDRO-1,4-BENZODIAZEPINE-2-THIONES FOR THE TREATMENT OF CNS RELATED DISEASES CHRM1, CHRM2, CHRM4 MAPT 306/4885LMNA 4098/4885SMN1; SMN2 1455/4885

“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.