SCHEMBL29567640

SCHEMBL29567640

O=Cc1ccc2c(c1Cl)COC2=O

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 9/20 0.66
KCNH2 Q12809 6/20 0.36
MAOB P27338 3/20 0.36
MAOA P21397 1/20 0.36
LMNA P02545 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
MEN1 O00255 1/20 0.35
THRB P10828 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
PRF1 P14222 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
ACHE P22303 1/20 0.34
SSTR1 P30872 1/20 0.34
SLC6A4 P31645 1/20 0.34
ALOX5 P09917 1/20 0.33

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
SCHEMBL22718951 1.00 KCNJ1 (0.66) KCNJ1KCNH2MAOBMAOALMNA
SCHEMBL286426 0.85 KCNJ1 (0.51) KCNJ1KCNH2MAOBMAOALMNA
SCHEMBL16836137 0.79 KCNJ1 (1.00) KCNJ1KCNH2LMNAACHESSTR1
SCHEMBL29567627 0.79 KCNJ1 (1.00) KCNJ1KCNH2LMNAACHESSTR1
SCHEMBL11453548 0.78 KCNJ1 (0.64) KCNJ1KCNH2MAOBMAOALMNA
SCHEMBL854575 0.78 KCNJ1 (0.46) KCNJ1KCNH2MAOBMAOALMNA
SCHEMBL4549443 0.76 KCNJ1 (0.45) KCNJ1KCNH2MAOBMAOALMNA
SCHEMBL286755 0.75 KCNJ1 (0.44) KCNJ1KCNH2MAOBMAOALMNA
SCHEMBL2733555 0.75 KCNJ1 (0.44) KCNJ1KCNH2MAOBMAOALMNA
SCHEMBL855133 0.75 KCNJ1 (0.44) KCNJ1KCNH2MAOBMAOALMNA

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-3976027-B1 QUINOLINE DERIVATIVES AS FACTOR XI ACTIVATION INHIBITORS MERCK SHARP & DOHME LLC (US) 2025-11-05 EP disclosed
US-12304899-B2 Factor XI activation inhibitors MERCK SHARP & DOHME LLC (US) 2025-05-20 US disclosed
US-20220235033-A1 FACTOR XI ACTIVATION INHIBITORS MERCK SHARP & DOHME CORP. (US) 2022-07-28 US disclosed
EP-3976027-A1 FACTOR XI ACTIVATION INHIBITORS Merck Sharp & Dohme Corp. (US) 2022-04-06 EP 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 (2 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-12304899-B2 Factor XI activation inhibitors F11, TFPI, F13B KCNJ1 2770/4885KCNH2 2681/4885MAOB 312/4885
US-20220235033-A1 FACTOR XI ACTIVATION INHIBITORS F11, TFPI, F13B KCNJ1 2770/4885KCNH2 2681/4885MAOB 312/4885

“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.