SCHEMBL21889538

SCHEMBL21889538

Cn1nc(C2CC2)nc1-c1ccc(O)cc1F

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.56
ESR1 P03372 11/20 0.40
ESR2 Q92731 4/20 0.40
USP7 Q93009 1/20 0.38
TDP2 O95551 1/20 0.38
JAK1 P23458 1/20 0.38
PDE2A O00408 1/20 0.38
PDE10A Q9Y233 1/20 0.38
AR P10275 1/20 0.37
MAOB P27338 1/20 0.35

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
SCHEMBL25836744 0.78 AOC3 (0.41) AOC3ESR1ESR2USP7JAK1
SCHEMBL21914527 0.78 AOC3 (0.63) AOC3MAOB
SCHEMBL21889220 0.75 DGAT1 (0.41) AOC3ESR1ESR2USP7JAK1
SCHEMBL21889539 0.73 AOC3 (1.00) AOC3
SCHEMBL31645641 0.68 ESR1 (0.45) ESR1ESR2USP7AR
SCHEMBL24407519 0.64 GAA (0.40) AOC3PDE2APDE10A
SCHEMBL13926735 0.64 HDAC1 (0.45) ESR1ESR2USP7MAOB
SCHEMBL29557461 0.64 ESR1 (0.74) ESR1ESR2ARMAOB
SCHEMBL2862424 0.64 ESR1 (0.74) ESR1ESR2ARMAOB
SCHEMBL20320451 0.63 TDP2 (0.50) AOC3TDP2PDE10A

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-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

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-11001563-B2 SSAO inhibitor SSB, ASAH2, AOX1 AOC3 53/4885ESR1 4721/4885ESR2 4415/4885
US-20200115352-A1 SSAO INHIBITOR SSB, ASAH2, AOX1 AOC3 53/4885ESR1 4721/4885ESR2 4415/4885

“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.