SCHEMBL21888976

SCHEMBL21888976

Cc1nc(CC(F)(F)F)n(C)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.36
APAF1 O14727 1/20 0.32
NPC1 O15118 1/20 0.32
KDM4A O75164 1/20 0.32
S1PR2 O95136 1/20 0.32
TDP2 O95551 1/20 0.32
ABL1 P00519 1/20 0.32
LMNA P02545 1/20 0.32
RAF1 P04049 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
MPI P34949 1/20 0.32
RAB9A P51151 1/20 0.32
GALK1 P51570 1/20 0.32
BLM P54132 1/20 0.32
SMAD3 P84022 1/20 0.32
MAP2K1 Q02750 1/20 0.32
RIN1 Q13671 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL12344045 0.73
SCHEMBL14507220 0.71
SCHEMBL12869079 0.68 NOS3 (0.33) APAF1NPC1KDM4AS1PR2TDP2
SCHEMBL21889148 0.67 AOC3 (0.40) AOC3
SCHEMBL13844382 0.64
SCHEMBL19145264 0.61 BCHE (0.46) AOC3LMNAPOLBSMN1; SMN2
SCHEMBL31582618 0.60 GAA (0.36)
SCHEMBL13104781 0.60 HSD11B1 (0.31)
SCHEMBL12693226 0.60 PDE2A (0.32) LMNAMAPTSMN1; SMN2L3MBTL1
SCHEMBL11159236 0.59 L3MBTL1 (0.44) NPC1LMNATP53RAB9ASMN1; 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 5 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
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 (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 AOC3 53/4885APAF1 1079/4885NPC1 567/4885
US-20210198220-A1 SSAO INHIBITOR SSB, ASAH2, AOX1 AOC3 53/4885APAF1 1079/4885NPC1 567/4885
US-20200115352-A1 SSAO INHIBITOR SSB, ASAH2, AOX1 AOC3 53/4885APAF1 1079/4885NPC1 567/4885

“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.