SCHEMBL400963

SCHEMBL400963

Cc1noc(-c2ccc(O)cc2)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.67
NPC1 O15118 5/20 0.58
MAPT P10636 3/20 0.58
NFKB1 P19838 2/20 0.58
NFKB2 Q00653 2/20 0.58
RELA Q04206 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
NPSR1 Q6W5P4 2/20 0.58
PKM P14618 1/20 0.58
HSD17B10 Q99714 1/20 0.58
LMNA P02545 1/20 0.54
THRB P10828 1/20 0.54
TP53 P04637 1/20 0.50
USP7 Q93009 2/20 0.49
AOC3 Q16853 2/20 0.47
RAB9A P51151 4/20 0.44
PARP1 P09874 1/20 0.44
PDK2 Q15119 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL13415305 0.89 ACHE (0.80) ACHENPC1MAPTNFKB1NFKB2
SCHEMBL5952948 0.83 ACHE (0.71) ACHENPC1MAPTNFKB1NFKB2
SCHEMBL3858388 0.82 ACHE (0.69) ACHENPC1MAPTNFKB1NFKB2
SCHEMBL29889817 0.80 ACHE (0.52) ACHENPC1MAPTNFKB1NFKB2
SCHEMBL2645654 0.80 ACHE (0.67) ACHENPC1MAPTNFKB1NFKB2
SCHEMBL4668357 0.80 ACHE (0.67) ACHENPC1MAPTNFKB1NFKB2
SCHEMBL981283 0.80 ACHE (1.00) ACHENPC1MAPTNFKB1NFKB2
SCHEMBL12297019 0.80 ACHE (0.67) ACHENPC1MAPTNFKB1NFKB2
SCHEMBL2310534 0.80 ACHE (0.67) ACHENPC1MAPTNFKB1NFKB2
SCHEMBL7200705 0.79 ACHE (0.61) ACHENPC1MAPTNFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3626699-B1 SSAO INHIBITOR SHANDONG DANHONG PHARMACEUTICAL CO LTD (CN) 2023-07-12 EP disclosed
US-11001563-B2 SSAO inhibitor SHANDONG DANHONG PHARMACEUTICAL CO LTD (CN) 2021-05-11 US disclosed
US-20200115352-A1 SSAO INHIBITOR SHANDONG DANHONG PHARMACEUTICAL CO., LTD. 2020-04-16 US disclosed
EP-3626699-A1 SSAO INHIBITOR Shandong Danhong Pharmaceutical Co., Ltd. (CN) 2020-03-25 EP disclosed
US-8101774-B2 Ester derivatives and medicinal use thereof JAPAN TOBACCO INC. (JP) 2012-01-24 US disclosed
EP-1803452-A1 ESTER DERIVATIVE AND PHARMACEUTICAL USE THEREOF Japan Tobacco, Inc. (JP) 2007-07-04 EP disclosed
US-20060089392-A1 Ester derivatives and medicinal use thereof JAPAN TOBACCO INC. (JP) 2006-04-27 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 (3 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-11001563-B2 SSAO inhibitor SSB, ASAH2, AOX1 ACHE 3889/4885NPC1 567/4885MAPT 4231/4885
US-20200115352-A1 SSAO INHIBITOR SSB, ASAH2, AOX1 ACHE 3889/4885NPC1 567/4885MAPT 4231/4885
US-20060089392-A1 Ester derivatives and medicinal use thereof MTTP, CETP, LIPA ACHE 1116/4885NPC1 24/4885MAPT 3451/4885

“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.