SCHEMBL23927208

SCHEMBL23927208

S=C1CN=C(c2ncccc2Cl)c2c(ccc(Br)c2Cl)N1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CHRM1 P11229 8/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GABRA1 P14867 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
GABRB2 P47870 2/20 0.33
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA4 P48169 1/20 0.32
GABRE P78334 1/20 0.32
GABRA6 Q16445 1/20 0.32

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
SCHEMBL30202080 1.00 ALOX12 (0.44) ALOX12SMN1; SMN2CHRM1ALDH1A1PKM
SCHEMBL23927135 0.90 CHRM1 (0.45) ALOX12SMN1; SMN2CHRM1ALDH1A1PKM
SCHEMBL30202048 0.90 CHRM1 (0.45) ALOX12SMN1; SMN2CHRM1ALDH1A1PKM
SCHEMBL23927155 0.86 GABRA1 (0.47) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL28989141 0.82 CHRM1 (0.39) ALOX12SMN1; SMN2CHRM1ALDH1A1PKM
SCHEMBL23927165 0.80 CHRM1 (0.46) ALOX12SMN1; SMN2CHRM1ALDH1A1PKM
SCHEMBL30202029 0.80 CHRM1 (0.46) ALOX12SMN1; SMN2CHRM1ALDH1A1PKM
SCHEMBL23927151 0.80 CHRM1 (0.46) ALOX12SMN1; SMN2CHRM1ALDH1A1PKM
SCHEMBL28989156 0.79 ADRA2B (0.34) NPSR1ADRA1A
SCHEMBL23881519 0.78 CHRM1 (0.49) ALOX12SMN1; SMN2CHRM1ALDH1A1PKM

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
EP-4139310-B1 BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM HOFFMANN LA ROCHE (CH) 2024-03-27 EP disclosed
US-20230141603-A1 BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM HOFFMANN-LA ROCHE INC. (US) 2023-05-11 US disclosed
EP-4139310-A1 BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM F. Hoffmann-La Roche AG (CH) 2023-03-01 EP disclosed
WO-2021213952-A1 BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM F. HOFFMANN-LA ROCHE AG (CH) 2021-10-28 WO disclosed
EP-3901155-A1 NEW BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM F. Hoffmann-La Roche AG (CH) 2021-10-27 EP 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 (1 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-20230141603-A1 BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM GABRA1, GABRB1, GABRB3 ALOX12 3986/4885SMN1; SMN2 1264/4885CHRM1 58/4885

“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.