SCHEMBL21272208

SCHEMBL21272208

CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
LMNA P02545 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
TP53 P04637 4/20 0.48
ALDH1A1 P00352 4/20 0.48
THRB P10828 1/20 0.48
GAA P10253 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
POLB P06746 2/20 0.47
MEN1 O00255 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL21272211 1.00 MAPT (0.51) MAPTLMNASMN1; SMN2TP53ALDH1A1
SCHEMBL21272145 0.92 MAPT (0.49) MAPTLMNASMN1; SMN2TP53ALDH1A1
SCHEMBL21272147 0.92 MAPT (0.49) MAPTLMNASMN1; SMN2TP53ALDH1A1
SCHEMBL21272043 0.90 AAK1 (0.53) MAPTLMNASMN1; SMN2TP53ALDH1A1
SCHEMBL21272040 0.90 AAK1 (0.53) MAPTLMNASMN1; SMN2TP53ALDH1A1
SCHEMBL21272239 0.89 SMN1; SMN2 (0.48) MAPTLMNASMN1; SMN2TP53ALDH1A1
SCHEMBL21272241 0.89 SMN1; SMN2 (0.48) MAPTLMNASMN1; SMN2TP53ALDH1A1
SCHEMBL20473336 0.89 SMN1; SMN2 (0.48) MAPTLMNASMN1; SMN2TP53ALDH1A1
SCHEMBL28905494 0.89 SMN1; SMN2 (0.48) MAPTLMNASMN1; SMN2TP53ALDH1A1
SCHEMBL21284231 0.88 AAK1 (0.58) MAPTLMNASMN1; SMN2TP53ALDH1A1

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 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.