SCHEMBL22964174

SCHEMBL22964174

Fc1ccc(COc2cccc(S)c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.66
MAOA P21397 2/20 0.60
NR4A2 P43354 1/20 0.59
MEN1 O00255 2/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.52
KMT2A Q03164 2/20 0.52
LMNA P02545 1/20 0.52
THRB P10828 1/20 0.52
PKM P14618 1/20 0.52
RECQL P46063 1/20 0.52
RAB9A P51151 1/20 0.52
BLM P54132 1/20 0.52
CASP6 P55212 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
TLR4 O00206 1/20 0.51
TLR2 O60603 1/20 0.51
APP P05067 1/20 0.50

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
SCHEMBL2499037 0.87 MAOB (0.83) MAOBMAOANR4A2MEN1ALDH1A1
SCHEMBL22597071 0.85 MAOB (0.67) MAOBMAOANR4A2
SCHEMBL2223022 0.84 MAOB (0.62) MAOBMAOANR4A2MEN1ALDH1A1
SCHEMBL9278438 0.82 MAOB (0.61) MAOBMAOANR4A2MEN1ALDH1A1
SCHEMBL9278442 0.82 MAOB (0.61) MAOBMAOANR4A2MEN1ALDH1A1
SCHEMBL22964303 0.81 APP (0.70) MAOBMAOANR4A2MEN1ALDH1A1
SCHEMBL21477270 0.80 MAOB (0.51) MAOBMAOANR4A2
SCHEMBL22964331 0.79 SMN1; SMN2 (0.51) MAOBMEN1KMT2ASMN1; SMN2TLR4
SCHEMBL9339589 0.79 MAOB (0.66) MAOBMAOANR4A2MEN1ALDH1A1
SCHEMBL810623 0.79 MAOB (0.72) MAOBMAOANR4A2MEN1ALDH1A1

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
CN-112218878-A NTCP inhibitors 北京生命科学研究所 2021-01-12 CN 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 4465/4885NR4A2 515/4885
US-10961231-B2 NTCP inhibitors HAVCR2, NPC1, HMGCR MAOB 4651/4885MAOA 4465/4885NR4A2 515/4885

“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.