SCHEMBL31609617

SCHEMBL31609617

CC(C)(C)OC(=O)NCc1cc2nc(Br)ccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CACNA1H O95180 1/20 0.43
▸ CACNA1B Q00975 1/20 0.43
▸ CACNA1C Q13936 1/20 0.43
▸ KDM4A O75164 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ HPN P05981 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ GRM2 Q14416 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ PTPN1 P18031 1/20 0.35
▸ IGF1R P08069 1/20 0.35

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
SCHEMBL25434377 1.00 BCHE (0.46) BCHESMN1; SMN2CACNA1HCACNA1BCACNA1C
SCHEMBL23436429 0.87 SMN1; SMN2 (0.51) BCHESMN1; SMN2CACNA1HCACNA1BCACNA1C
SCHEMBL30552716 0.81 CACNA1H (0.43) BCHESMN1; SMN2CACNA1HCACNA1BCACNA1C
SCHEMBL25433834 0.81 CACNA1H (0.43) BCHESMN1; SMN2CACNA1HCACNA1BCACNA1C
SCHEMBL19964551 0.81 SMN1; SMN2 (0.55) BCHESMN1; SMN2CACNA1HCACNA1BCACNA1C
SCHEMBL30759248 0.80 BCHE (0.49) BCHESMN1; SMN2CACNA1HCACNA1BCACNA1C
SCHEMBL22013237 0.79 CACNA1H (0.53) BCHESMN1; SMN2CACNA1HCACNA1BCACNA1C
SCHEMBL22790414 0.78 CACNA1G (0.43) BCHECACNA1BCACNA1CGRM2
SCHEMBL23731881 0.77 CACNA1H (0.47) BCHESMN1; SMN2CACNA1HCACNA1BCACNA1C
SCHEMBL30130048 0.77 SMN1; SMN2 (0.56) BCHESMN1; SMN2CACNA1HCACNA1BCACNA1C

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
EP-4482583-B1 ZWITTERIONIC ANTIBACTERIAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2026-04-01 — — EP disclosed
US-20250179066-A1 ZWITTERIONIC ANTIBACTERIAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2025-06-05 — — 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-20250179066-A1 ZWITTERIONIC ANTIBACTERIAL COMPOUNDS MRPL21, WIZ, CFTR BCHE 3763/4885SMN1; SMN2 3678/4885CACNA1H 3272/4885

“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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