SCHEMBL21889030

SCHEMBL21889030

Oc1ccc(-c2nc(C3CC3)no2)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.54
USP7 Q93009 2/20 0.50
ESR1 P03372 6/20 0.47
ESR2 Q92731 5/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
POLB P06746 2/20 0.41
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
HPGD P15428 2/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 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
SCHEMBL21914546 0.80 AOC3 (0.59) AOC3NPC1RAB9ASMN1; SMN2CHRM1
SCHEMBL21914788 0.75 USP7 (0.80) AOC3USP7NPC1RAB9ASMN1; SMN2
SCHEMBL7396263 0.74 NPC1 (0.52) AOC3USP7NPC1RAB9ASMN1; SMN2
SCHEMBL9508967 0.72 POLB (0.64) AOC3NPC1RAB9ASMN1; SMN2CHRM1
Hydrochloric Acid SCHEMBL23148960 0.72 CHRM1 (0.47) AOC3USP7NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL29616565 0.72 CHRM1 (0.47) AOC3USP7NPC1RAB9ASMN1; SMN2
SCHEMBL21889032 0.71 AOC3 (1.00) AOC3
SCHEMBL23092945 0.68 CASP3 (0.43) AOC3USP7NPC1RAB9ASMN1; SMN2
SCHEMBL30249939 0.67 HSD17B10 (0.50) ESR1ESR2CA1CA2CA9
SCHEMBL7393716 0.67 POLB (0.53) AOC3USP7NPC1RAB9ASMN1; SMN2

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 4 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

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 53/4885USP7 4507/4885ESR1 4721/4885
US-20200115352-A1 SSAO INHIBITOR SSB, ASAH2, AOX1 AOC3 53/4885USP7 4507/4885ESR1 4721/4885

“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.