SCHEMBL25318985

SCHEMBL25318985

Clc1ccc(OC2COC2)nn1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.37
CHRNA4 P43681 2/20 0.37
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.33
KMO O15229 2/20 0.32
KCNH2 Q12809 1/20 0.32
CYP1A2 P05177 1/20 0.31

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
SCHEMBL30508902 1.00 CHRNB2 (0.37) CHRNB2CHRNA4ALDH1A1GAAMAPT
SCHEMBL31110184 0.82 CHRNB2 (0.40) CHRNB2CHRNA4ALDH1A1GAAMAPT
SCHEMBL29311685 0.80 MAP3K12 (0.37) KCNH2
SCHEMBL30986469 0.80 MAP3K12 (0.37) KCNH2
SCHEMBL25319182 0.78 BCAT2 (0.42)
SCHEMBL12949577 0.78 LOX (0.41) CHRNB2CHRNA4ALDH1A1GAAMAPT
SCHEMBL20923376 0.75 KMT2A (0.38) CHRNB2CHRNA4KMT2A
SCHEMBL30138343 0.75 KMT2A (0.38) CHRNB2CHRNA4KMT2A
SCHEMBL30986478 0.75 HRH1 (0.44) CHRNB2CHRNA4KCNH2
SCHEMBL11908109 0.75 HRH1 (0.44) CHRNB2CHRNA4KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4466258-A1 NEW BENZIMIDAZOLE PYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2024-11-27 EP disclosed
US-20240383875-A1 Benzimidazole Pyridine Derivatives HOFFMANN-LA ROCHE INC. (US) 2024-11-21 US disclosed
WO-2023139085-A1 NEW BENZIMIDAZOLE PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2023-07-27 WO disclosed
WO-2023139085-A1 NEW BENZIMIDAZOLE PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2023-07-27 WO 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-20240383875-A1 Benzimidazole Pyridine Derivatives H1-3, H1-2, H1-4 CHRNB2 2660/4885CHRNA4 1294/4885ALDH1A1 72/4885

“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.