SCHEMBL21914818

SCHEMBL21914818

Cn1nc(CC(F)(F)F)nc1-c1ccc(O)cc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.58
SIGMAR1 Q99720 8/20 0.48
HSD17B2 P37059 1/20 0.40
TMEM97 Q5BJF2 3/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
KDM4C Q9H3R0 1/20 0.38

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
SCHEMBL21889851 0.79 AOC3 (0.61) AOC3SIGMAR1TMEM97NPC1RAB9A
SCHEMBL21889053 0.78 SIGMAR1 (0.43) SIGMAR1HSD17B2TMEM97NPC1RAB9A
SCHEMBL21889170 0.74 AOC3 (1.00) AOC3
SCHEMBL21889307 0.74 AOC3 (0.39) AOC3SIGMAR1TMEM97
SCHEMBL12776151 0.74 SIGMAR1 (0.47) AOC3SIGMAR1TMEM97NPC1RAB9A
SCHEMBL2645379 0.73 HSD17B2 (0.49) HSD17B2NPC1RAB9ANR1H2NR1H3
SCHEMBL21914567 0.72 AOC3 (0.50) AOC3SIGMAR1HSD17B2NPC1RAB9A
SCHEMBL21889148 0.71 AOC3 (0.40) AOC3SIGMAR1
SCHEMBL19231182 0.69 SIGMAR1 (0.64) AOC3SIGMAR1TMEM97NPC1RAB9A
SCHEMBL17803244 0.68 SIGMAR1 (0.55) AOC3SIGMAR1TMEM97

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
EP-3626699-B1 SSAO INHIBITOR SHANDONG DANHONG PHARMACEUTICAL CO LTD (CN) 2023-07-12 EP disclosed
US-20210198220-A1 SSAO INHIBITOR SHANDONG DANHONG PHARMACEUTICAL CO LTD (CN) 2021-07-01 US disclosed
EP-3626699-A1 SSAO INHIBITOR Shandong Danhong Pharmaceutical Co., Ltd. (CN) 2020-03-25 EP 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 (1 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-20210198220-A1 SSAO INHIBITOR SSB, ASAH2, AOX1 AOC3 53/4885SIGMAR1 1637/4885HSD17B2 544/4885

“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.