SCHEMBL21273256

SCHEMBL21273256

COCOc1ccc2nc(-c3noc(-c4ccnc(OC)c4)n3)ccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 7/20 0.48
▸ NPC1 O15118 6/20 0.40
▸ RAB9A P51151 5/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ PKM P14618 3/20 0.40
▸ GRM5 P41594 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ALOX5AP P20292 1/20 0.39
▸ MAPT P10636 4/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ TSHR P16473 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ S1PR3 Q99500 2/20 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 0.91 S1PR1 (0.53) S1PR1NPC1RAB9ASMN1; SMN2PKM
SCHEMBL21273263 0.88 MAPT (0.49) S1PR1NPC1RAB9ASMN1; SMN2PKM
SCHEMBL21273259 0.86 S1PR1 (0.48) S1PR1NPC1RAB9ASMN1; SMN2PKM
SCHEMBL21771094 0.85 S1PR1 (0.57) S1PR1NPC1RAB9ASMN1; SMN2PKM
SCHEMBL21273246 0.83 S1PR1 (0.52) S1PR1NPC1RAB9ASMN1; SMN2PKM
SCHEMBL21771256 0.82 S1PR1 (0.55) S1PR1NPC1RAB9ASMN1; SMN2PKM
SCHEMBL21282151 0.81 PKM (0.36) S1PR1NPC1RAB9ASMN1; SMN2PKM
SCHEMBL21282219 0.79 RAB9A (0.48) S1PR1NPC1RAB9ASMN1; SMN2PKM
SCHEMBL21282172 0.77 NPC1 (0.61) S1PR1NPC1RAB9ASMN1; SMN2PKM
SCHEMBL21282179 0.74 NPC1 (0.64) NPC1RAB9ASMN1; SMN2PKMGRM5

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 1435/4885NPC1 382/4885RAB9A 152/4885
US-12012394-B2 Alpha-synuclein ligands SNCA, PARK7, LRRK2 S1PR1 1435/4885NPC1 382/4885RAB9A 152/4885

“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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