SCHEMBL21272173

SCHEMBL21272173

CCCC1=NCC(=S)Nc2ccc(Cl)cc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 13/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ PKM P14618 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ ALOX12 P18054 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ CNR1 P21554 1/20 0.38
▸ NTSR1 P30989 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ GABRP O00591 2/20 0.37
▸ GABRD O14764 2/20 0.37
▸ GABRA1 P14867 2/20 0.37
▸ GABRB1 P18505 2/20 0.37
▸ GABRG2 P18507 2/20 0.37
▸ GABRB3 P28472 2/20 0.37
▸ GABRA5 P31644 2/20 0.37
▸ GABRA3 P34903 2/20 0.37
▸ GABRA2 P47869 2/20 0.37

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
SCHEMBL21272263 0.84 CNR1 (0.55) CHRM1ALDH1A1PKMHTTNPSR1
SCHEMBL11834495 0.81 CHRM1 (0.62) CHRM1ALDH1A1PKMHTTNPSR1
SCHEMBL29627864 0.71 CHRM1 (1.00) CHRM1ALDH1A1PKMHTTNPSR1
SCHEMBL7323716 0.71 CHRM1 (1.00) CHRM1ALDH1A1PKMHTTNPSR1
SCHEMBL11824724 0.70 CHRM1 (0.70) CHRM1ALDH1A1PKMHTTNPSR1
SCHEMBL7330628 0.70 ALOX12 (1.00) CHRM1ALDH1A1PKMHTTNPSR1
SCHEMBL7331645 0.70 CHRM1 (0.69) CHRM1ALDH1A1PKMHTTNPSR1
SCHEMBL7322840 0.68 CHRM1 (0.77) CHRM1ALDH1A1PKMHTTNPSR1
SCHEMBL7328311 0.68 CHRM1 (1.00) CHRM1ALDH1A1PKMHTTNPSR1
SCHEMBL30320323 0.68 CHRM1 (1.00) CHRM1ALDH1A1PKMHTTNPSR1

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 8 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 claimed
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 claimed
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 claimed
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 CHRM1 1/4885ALDH1A1 1148/4885PKM 1164/4885
US-20190256478-A1 1,3-DIHYDRO-1,4-BENZODIAZEPINE-2-THIONES FOR THE TREATMENT OF CNS RELATED DISEASES CHRM1, CHRM2, CHRM4 CHRM1 1/4885ALDH1A1 1148/4885PKM 1164/4885

“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.

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