SCHEMBL21771256

SCHEMBL21771256

COc1cc(-c2nc(-c3ccc4ccccc4n3)no2)ccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 4/20 0.55
▸ NPC1 O15118 7/20 0.48
▸ RAB9A P51151 6/20 0.48
▸ SMN1; SMN2 Q16637 5/20 0.48
▸ PKM P14618 4/20 0.48
▸ GRM5 P41594 2/20 0.48
▸ ALDH1A1 P00352 5/20 0.47
▸ KDM4E B2RXH2 4/20 0.47
▸ TP53 P04637 3/20 0.47
▸ MAPT P10636 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ KLF5 Q13887 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ HPGD P15428 2/20 0.47
▸ HSP90AA1 P07900 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ PDE10A Q9Y233 1/20 0.44
▸ MEN1 O00255 2/20 0.43

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 0.87 S1PR1 (0.57) S1PR1NPC1RAB9ASMN1; SMN2PKM
SCHEMBL21273251 0.86 S1PR1 (0.53) S1PR1NPC1RAB9ASMN1; SMN2PKM
SCHEMBL21273246 0.85 S1PR1 (0.52) S1PR1NPC1RAB9ASMN1; SMN2PKM
SCHEMBL26017513 0.84 TP53 (0.50) S1PR1NPC1RAB9ASMN1; SMN2PKM
SCHEMBL21273259 0.82 S1PR1 (0.48) S1PR1NPC1RAB9ASMN1; SMN2PKM
SCHEMBL21273256 0.82 S1PR1 (0.48) S1PR1NPC1RAB9ASMN1; SMN2PKM
SCHEMBL21273263 0.80 MAPT (0.49) S1PR1NPC1RAB9ASMN1; SMN2PKM
SCHEMBL14327862 0.76 S1PR1 (0.74) S1PR1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL24921187 0.74 S1PR1 (0.64) S1PR1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL21282216 0.74 NPC1 (0.54) 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-11707452-B2 Modulators of alpha-synuclein proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2023-07-25 — — US disclosed
US-11707452-B2 Modulators of alpha-synuclein proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2023-07-25 — — US disclosed
WO-2020041331-A1 PROTEOLYSIS TARGETING CHIMERIC (PROTAC) COMPOUND WITH E3 UBIQUITIN LIGASE BINDING ACTIVITY AND TARGETING ALPHA-SYNUCLEIN PROTEIN FOR TREATING NEURODEGENERATIVE DISEASES ARVINAS OPERATIONS, INC. (US) 2020-02-27 — — WO 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-11707452-B2 Modulators of alpha-synuclein proteolysis and associated methods of use UCHL1, ADRM1, CRBN S1PR1 4067/4885NPC1 2637/4885RAB9A 2849/4885

“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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