SCHEMBL21273263

SCHEMBL21273263

COc1cc(-c2nc(-c3ccc4cc(OCCF)ccc4n3)no2)ccn1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.49
▸ S1PR1 P21453 5/20 0.47
▸ APP P05067 10/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ PKM P14618 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ GRM5 P41594 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ S1PR3 Q99500 1/20 0.38
▸ PDE10A Q9Y233 1/20 0.38
▸ ALOX5AP P20292 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
SCHEMBL21273251 0.89 S1PR1 (0.53) MAPTS1PR1NPC1PKMRAB9A
SCHEMBL21273256 0.88 S1PR1 (0.48) MAPTS1PR1NPC1PKMRAB9A
SCHEMBL21273259 0.84 S1PR1 (0.48) MAPTS1PR1NPC1PKMRAB9A
SCHEMBL21771094 0.83 S1PR1 (0.57) MAPTS1PR1NPC1PKMRAB9A
SCHEMBL21273246 0.81 S1PR1 (0.52) MAPTS1PR1NPC1PKMRAB9A
SCHEMBL21771256 0.80 S1PR1 (0.55) MAPTS1PR1NPC1PKMRAB9A
SCHEMBL21282152 0.79 MAPT (0.47) MAPTS1PR1APPPKMSMN1; SMN2
SCHEMBL21282219 0.78 RAB9A (0.48) MAPTS1PR1NPC1PKMRAB9A
SCHEMBL21282172 0.75 NPC1 (0.61) MAPTS1PR1NPC1PKMRAB9A
SCHEMBL21282179 0.73 NPC1 (0.64) MAPTNPC1PKMRAB9AGRM5

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-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
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 MAPT 58/4885S1PR1 1435/4885APP 161/4885
US-12012394-B2 Alpha-synuclein ligands SNCA, PARK7, LRRK2 MAPT 58/4885S1PR1 1435/4885APP 161/4885

“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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