SCHEMBL30675451

SCHEMBL30675451

COC(=O)CC[C@@H]1N=C(c2ccccn2)c2cc(Br)ccc2-n2c(SC)nnc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
BRD4 O60885 3/20 0.39
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
BRD2 P25440 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL30675495 0.92 GABRA1 (0.40) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL25397043 0.91 GABRA1 (0.42) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL30675448 0.89 GABRA1 (0.38) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL30675437 0.89 GABRA1 (0.40) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL20473283 0.89 GABRA1 (0.51) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL19006561 0.89 GABRA1 (0.51) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL30675511 0.89 GABRA1 (0.42) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL24423812 0.89 GABRA1 (0.42) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL30675471 0.88 BRD4 (0.43) BRD4BRD2HDAC3HDAC4HDAC1
SCHEMBL19006566 0.88 GABRA1 (0.43) GABRA1GABRA5GABRA3GABRA2GABRB2

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-20230416258-A1 BENZODIAZEPINE COMPOUNDS, AND PREPARATION METHOD THEREFOR AND USE THEREOF CHINA PHARMACEUTICAL UNIVERSITY (CN) 2023-12-28 US claimed
US-20230416258-A1 BENZODIAZEPINE COMPOUNDS, AND PREPARATION METHOD THEREFOR AND USE THEREOF CHINA PHARMACEUTICAL UNIVERSITY (CN) 2023-12-28 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 (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-20230416258-A1 BENZODIAZEPINE COMPOUNDS, AND PREPARATION METHOD THEREFOR AND USE THEREOF GABRA4, GABRA1, GABRA5 GABRA1 2/4885GABRA5 3/4885GABRA3 7/4885

“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.