SCHEMBL22964302

SCHEMBL22964302

CSc1cccc(OCc2ccc(-n3cccn3)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.42
PPARA Q07869 2/20 0.42
MAOB P27338 5/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
SIRT3 Q9NTG7 1/20 0.40
PCSK9 Q8NBP7 1/20 0.40
NOTUM Q6P988 1/20 0.39
PTGER2 P43116 2/20 0.39
DGAT2 Q96PD7 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
APP P05067 1/20 0.37

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
SCHEMBL21477286 0.82 APP (0.55) PPARGPPARAMAOBSIRT2SIRT1
SCHEMBL21480868 0.81 NOTUM (0.42) PPARGPPARAMAOBSIRT2SIRT1
SCHEMBL21480867 0.79 PPARG (0.39) PPARGPPARAMAOBSIRT2SIRT1
SCHEMBL16540016 0.79 MAOB (0.52) MAOBNOTUMAPP
SCHEMBL22964333 0.77 NOS3 (0.51) MAOBKMT2AMEN1APP
SCHEMBL11566779 0.75 MAOB (0.62) PPARGMAOB
SCHEMBL12989014 0.74 LMNA (0.50) MAOBNOTUMMAPTPKMDRD2
SCHEMBL27527106 0.73 NOTUM (0.58) PCSK9NOTUMKMT2AMEN1MAPT
SCHEMBL28573560 0.73 NOTUM (0.42) PPARGPPARASIRT2SIRT1SIRT3
SCHEMBL18376642 0.72 NOTUM (0.53) PPARGPPARANOTUMDGAT2KMT2A

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
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

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 PPARG 2316/4885PPARA 1472/4885MAOB 4651/4885
US-10961231-B2 NTCP inhibitors HAVCR2, NPC1, HMGCR PPARG 2316/4885PPARA 1472/4885MAOB 4651/4885

“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.