SCHEMBL31609643

SCHEMBL31609643

C[Si](C)(C)CCOCn1c(CCO)cc2nc(Br)ccc21

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.37
DGAT1 O75907 4/20 0.36
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HTT P42858 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL25439651 0.85 KDM4E (0.39) NPC1DGAT1MAPTKDM4E
SCHEMBL25375911 0.84 DGAT1 (0.34) NPC1DGAT1
SCHEMBL25433894 0.80 NPC1 (0.36) NPC1DGAT1
SCHEMBL30552869 0.79 CA12 (0.35) NPC1DGAT1KDM4EHTT
SCHEMBL25374677 0.78 DGAT1 (0.36) NPC1DGAT1
SCHEMBL29324119 0.76 NPC1 (0.39) NPC1DGAT1MAPT
SCHEMBL30470561 0.76 NPC1 (0.39) NPC1DGAT1MAPT
SCHEMBL25432150 0.73 DGAT1 (0.33) NPC1DGAT1
SCHEMBL22220337 0.72 NPC1 (0.41) NPC1KMT2AMAPT
SCHEMBL13122602 0.72 TDP1 (0.41) NPC1DGAT1KMT2AMAPTKDM4E

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 NPC1 2861/4885DGAT1 4735/4885KMT2A 4463/4885

“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.