SCHEMBL24490165

SCHEMBL24490165

COc1ccc2c(c1)CN(C(C)=O)C[C@@H]2c1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 2/20 0.55
▸ SLC6A4 P31645 13/20 0.54
▸ HRH3 Q9Y5N1 7/20 0.54
▸ SLC6A2 P23975 6/20 0.52
▸ SLC6A3 Q01959 6/20 0.52
▸ ESR1 P03372 2/20 0.46
▸ ESR2 Q92731 2/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ CA14 Q9ULX7 1/20 0.46
▸ MEN1 O00255 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ KMT2A Q03164 1/20 0.44

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
SCHEMBL24490102 0.87 KIF11 (0.52) KIF11SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL24490106 0.87 KIF11 (0.52) KIF11SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL11792580 0.82 SLC6A4 (0.76) SLC6A4HRH3SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL11803430 0.81 SLC6A4 (0.74) SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL6716414 0.79 ESR1 (0.67) KIF11SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL24490209 0.76 SLC6A4 (0.69) KIF11SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL24490097 0.75 SLC6A4 (0.62) KIF11SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL24490020 0.75 SLC6A4 (0.62) KIF11SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL1248114 0.75 SLC6A4 (0.58) SLC6A4HRH3SLC6A2SLC6A3CA1
SCHEMBL1120034 0.74 KIF11 (0.58) KIF11SLC6A4HRH3SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220177488-A1 SUMO INHIBITOR COMPOUNDS AND USES THEREOF CIT THERAPEUTICS LLC 2022-06-09 — — 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 (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-20220177488-A1 SUMO INHIBITOR COMPOUNDS AND USES THEREOF SUMO1, SUMO2, SUMO3 KIF11 3058/4885SLC6A4 4468/4885HRH3 4315/4885

“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.

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