SCHEMBL21273246

SCHEMBL21273246

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 6/20 0.52
▸ ESR1 P03372 1/20 0.43
▸ ESR2 Q92731 1/20 0.43
▸ ALOX5AP P20292 1/20 0.41
▸ NPC1 O15118 5/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ PKM P14618 2/20 0.41
▸ GRM5 P41594 2/20 0.41
▸ S1PR3 Q99500 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ USP30 Q70CQ3 1/20 0.38
▸ HSP90AA1 P07900 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
SCHEMBL21771094 0.89 S1PR1 (0.57) S1PR1ALOX5APNPC1RAB9ASMN1; SMN2
SCHEMBL21273251 0.88 S1PR1 (0.53) S1PR1ALOX5APNPC1RAB9ASMN1; SMN2
SCHEMBL21771256 0.85 S1PR1 (0.55) S1PR1ALOX5APNPC1RAB9ASMN1; SMN2
SCHEMBL21273259 0.83 S1PR1 (0.48) S1PR1ALOX5APNPC1RAB9ASMN1; SMN2
SCHEMBL21273256 0.83 S1PR1 (0.48) S1PR1ALOX5APNPC1RAB9ASMN1; SMN2
SCHEMBL21273263 0.81 MAPT (0.49) S1PR1ALOX5APNPC1RAB9ASMN1; SMN2
SCHEMBL21282219 0.75 RAB9A (0.48) S1PR1NPC1RAB9ASMN1; SMN2PKM
SCHEMBL26017593 0.75 S1PR1 (0.49) S1PR1ALOX5APNPC1RAB9ASMN1; SMN2
SCHEMBL14327862 0.73 S1PR1 (0.74) S1PR1NPC1RAB9ASMN1; SMN2S1PR3
SCHEMBL21282172 0.73 NPC1 (0.61) S1PR1NPC1RAB9ASMN1; SMN2PKM

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 S1PR1 1435/4885ESR1 4792/4885ESR2 3992/4885
US-12012394-B2 Alpha-synuclein ligands SNCA, PARK7, LRRK2 S1PR1 1435/4885ESR1 4792/4885ESR2 3992/4885

“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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