SCHEMBL31609686

SCHEMBL31609686

O=Cc1cc2cnc(Br)cc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.46

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
SCHEMBL25431166 1.00 CYP2A6 (0.46) CYP2A6
SCHEMBL19114247 0.86 CYP2A6 (0.46) CYP2A6
SCHEMBL30159589 0.79 CYP2A6 (0.46) CYP2A6
SCHEMBL23535827 0.79 CYP2A6 (0.46) CYP2A6
SCHEMBL30595155 0.73 CYP2A6 (0.52) CYP2A6
SCHEMBL30552801 0.71 CYP2A6 (0.46) CYP2A6
SCHEMBL25434391 0.71 CYP2A6 (0.46) CYP2A6
SCHEMBL2550820 0.70 CYP2A6 (0.58) CYP2A6
SCHEMBL29641226 0.70 CYP2A6 (0.58) CYP2A6
SCHEMBL25373058 0.70 GPR35 (0.51)

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 CYP2A6 2634/4885

“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.