SCHEMBL20545136

SCHEMBL20545136

CCC(=O)OC1N=C(c2ccccn2)c2cc(Br)ccc2-n2c(OC)cnc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA3 P34903 4/20 0.41
GABRA1 P14867 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA2 P47869 2/20 0.41
GABRB2 P47870 1/20 0.41
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
BRD4 O60885 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
GAA P10253 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
SCHEMBL19006550 0.82 GABRA1 (0.40) GABRA3GABRA1GABRA5GABRA2GABRB2
SCHEMBL19006763 0.82 GABRA2 (0.47) GABRA3GABRA1GABRA5GABRA2GABRB2
SCHEMBL20473319 0.80 GABRA3 (0.42) GABRA3GABRA1GABRA5GABRA2GABRB2
SCHEMBL11828460 0.80 CYP2C9 (0.49) GABRA3GABRA1GABRA5GABRA2GABRB2
SCHEMBL19006536 0.74 GABRA1 (0.42) GABRA3GABRA1GABRA5GABRA2GABRB2
SCHEMBL19006652 0.74 GABRA1 (0.40) GABRA3GABRA1GABRA5GABRA2GABRB2
SCHEMBL19006662 0.74 GABRA1 (0.42) GABRA3GABRA1GABRA5GABRA2GABRB2
SCHEMBL20473218 0.74 GABRA1 (0.40) GABRA3GABRA1GABRA5GABRA2GABRB2
SCHEMBL26146791 0.74 GABRA3 (0.40) GABRA3GABRA1GABRA5GABRA2GABRB2
SCHEMBL26146328 0.74 GABRA5 (0.40) GABRA3GABRA1GABRA5GABRA2GABRB2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180312511-A1 SHORT-ACTING BENZODIAZEPINE DERIVATIVES, PREPARATION METHOD THEREFOR, AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2018-11-01 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-20180312511-A1 SHORT-ACTING BENZODIAZEPINE DERIVATIVES, PREPARATION METHOD THEREFOR, AND USE THEREOF GABRA5, GABRA1, GABRA6 GABRA3 7/4885GABRA1 2/4885GABRA5 1/4885

“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.