SCHEMBL22597337

SCHEMBL22597337

Oc1cc(Cl)cc(OCc2ccc(F)cc2)c1

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 13/20 0.49
▸ MAOA P21397 1/20 0.49
▸ APP P05067 1/20 0.49
▸ NR4A2 P43354 2/20 0.47
▸ PARP10 Q53GL7 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
SCHEMBL20804532 0.88 MAOB (0.59) MAOBMAOAAPPNR4A2PARP10
SCHEMBL21944603 0.84 MAOB (0.53) MAOBMAOAAPPNR4A2PARP10
SCHEMBL29142397 0.83 CYP1A2 (0.58) MAOBNR4A2
SCHEMBL22597082 0.82 MAOB (0.47) MAOBMAOAAPPNR4A2PARP10
SCHEMBL21477287 0.82 MAOB (0.60) MAOBMAOAAPPNR4A2PARP10
SCHEMBL22597338 0.80 MAOB (0.69) MAOBMAOAAPPNR4A2
SCHEMBL20804354 0.80 MAOB (0.67) MAOBMAOAAPPNR4A2PARP10
SCHEMBL18002896 0.78 MAOB (0.65) MAOBMAOAAPPNR4A2
SCHEMBL21945065 0.77 CYP4F2 (0.41) MAOB
SCHEMBL13321691 0.76 MAOB (0.60) MAOBMAOAAPPNR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10961231-B2 NTCP inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-03-30 — — US disclosed
US-20210040072-A1 NTCP Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-02-11 — — US disclosed
WO-2020215267-A1 USE OF NTCP INHIBITORS IN PREVENTING AND TREATING HEPATOCARCINOGENESIS NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2020-10-29 — — 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 (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-20210040072-A1 NTCP Inhibitors HAVCR2, NPC1, HMGCR MAOB 4651/4885MAOA 4465/4885APP 589/4885
US-10961231-B2 NTCP inhibitors HAVCR2, NPC1, HMGCR MAOB 4651/4885MAOA 4465/4885APP 589/4885

“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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