SCHEMBL22964320

SCHEMBL22964320

COCCOc1cc(S)cc(OCc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.53
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
ALOX5 P09917 1/20 0.44
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA4 P43681 1/20 0.43
CYP1A2 P05177 1/20 0.42
PTGS1 P23219 1/20 0.42
SLC6A2 P23975 1/20 0.42
CYP2C19 P33261 1/20 0.42
PTGS2 P35354 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HIF1A Q16665 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL22964290 0.86 MAOB (0.54) MAOBMEN1KMT2ALMNAKDM4E
SCHEMBL16551002 0.85 MAOB (0.67) MAOBMEN1KMT2ALMNAALOX5
SCHEMBL7595917 0.83 LMNA (0.60) MAOBMEN1KMT2ALMNAKDM4E
SCHEMBL2814524 0.83 MAOB (0.51) MAOBMEN1KMT2ALMNAKDM4E
SCHEMBL2806051 0.83 MAOB (0.51) MAOBMEN1KMT2ALMNAKDM4E
SCHEMBL6584828 0.81 MAOB (0.53) MAOBMEN1KMT2ALMNAKDM4E
SCHEMBL7597018 0.81 MEN1 (0.77) MAOBMEN1KMT2ALMNAKDM4E
SCHEMBL29153609 0.79 MAOB (0.57) MAOBMEN1KMT2ALMNAALOX5
SCHEMBL13433972 0.78 MAOB (0.53) MAOBMEN1KMT2ALMNAKDM4E
SCHEMBL4674930 0.77 MEN1 (0.70) MAOBMEN1KMT2ALMNAALOX5

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 MAOB 4651/4885MEN1 1727/4885KMT2A 3047/4885
US-10961231-B2 NTCP inhibitors HAVCR2, NPC1, HMGCR MAOB 4651/4885MEN1 1727/4885KMT2A 3047/4885

“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.