SCHEMBL21273247

SCHEMBL21273247

COCOc1ccc2nc(-c3noc(-c4cc5nccn5cn4)n3)ccc2c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 2/20 0.35
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ F2RL3 Q96RI0 1/20 0.34
▸ MIF P14174 3/20 0.33
▸ MAPT P10636 5/20 0.33
▸ NPC1 O15118 2/20 0.32
▸ PKM P14618 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ PDE10A Q9Y233 1/20 0.30
▸ GRM5 P41594 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ CYP19A1 P11511 1/20 0.30

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
SCHEMBL21273264 0.90 SMO (0.42) SMOMAOAMAOBMAPTNPC1
SCHEMBL21282151 0.90 PKM (0.36) SMOMAOAMAOBF2RL3MIF
SCHEMBL21273250 0.86 MAPT (0.48) F2RL3MIFMAPTPDE10A
SCHEMBL21273258 0.85 SMO (0.36) SMOMAOAMAOBF2RL3MAPT
SCHEMBL21282154 0.79 NPC1 (0.45) SMOMAOAMAOBMAPTNPC1
SCHEMBL21282152 0.76 MAPT (0.47) MIFMAPTPKMALDH1A1PDE10A
SCHEMBL21273256 0.75 S1PR1 (0.48) MAPTNPC1PKMRAB9AHSP90AA1
SCHEMBL21282155 0.75 PKM (0.35) SMOMAOAMAOBF2RL3MAPT
SCHEMBL21282191 0.66 SMO (0.42) SMOMAPTNPC1PKMRAB9A
SCHEMBL21282172 0.66 NPC1 (0.61) MAPTNPC1PKMRAB9AHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12012394-B2 Alpha-synuclein ligands WASHINGTON UNIVERSITY (US) 2024-06-18 — — US disclosed
US-20190256492-A1 ALPHA-SYNUCLEIN LIGANDS WASHINGTON UNIVERSITY (US) 2019-08-22 — — 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 (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-20190256492-A1 ALPHA-SYNUCLEIN LIGANDS SNCA, PARK7, LRRK2 SMO 3104/4885MAOA 1234/4885MAOB 912/4885
US-12012394-B2 Alpha-synuclein ligands SNCA, PARK7, LRRK2 SMO 3104/4885MAOA 1234/4885MAOB 912/4885

“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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