SCHEMBL21273258

SCHEMBL21273258

CC(C)Oc1ccc2nc(-c3noc(-c4cc5nccn5cn4)n3)ccc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 3/20 0.36
▸ MAOA P21397 2/20 0.33
▸ MAOB P27338 2/20 0.33
▸ CBFB Q13951 1/20 0.32
▸ F2RL3 Q96RI0 2/20 0.32
▸ PDE3B Q13370 1/20 0.32
▸ PDE3A Q14432 1/20 0.32
▸ S1PR4 O95977 1/20 0.31
▸ S1PR1 P21453 1/20 0.31
▸ S1PR5 Q9H228 1/20 0.31
▸ MAPT P10636 2/20 0.31
▸ PSMB5 P28074 1/20 0.31
▸ FGFR1 P11362 1/20 0.31
▸ CYP11B1 P15538 1/20 0.31
▸ CYP11B2 P19099 1/20 0.31
▸ ACACB O00763 2/20 0.31
▸ ABL1 P00519 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ HSP90AA1 P07900 1/20 0.30
▸ PKM P14618 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
SCHEMBL21282155 0.89 PKM (0.35) SMOMAOAMAOBCBFBF2RL3
SCHEMBL21273264 0.89 SMO (0.42) SMOMAOAMAOBMAPTCYP11B1
SCHEMBL21273247 0.85 SMO (0.35) SMOMAOAMAOBF2RL3MAPT
SCHEMBL21273250 0.83 MAPT (0.48) F2RL3S1PR1MAPT
SCHEMBL21282154 0.78 NPC1 (0.45) SMOMAOAMAOBMAPTNPC1
SCHEMBL21282151 0.75 PKM (0.36) SMOMAOAMAOBF2RL3S1PR1
SCHEMBL21273259 0.74 S1PR1 (0.48) S1PR1MAPTNPC1HSP90AA1PKM
SCHEMBL21282152 0.73 MAPT (0.47) S1PR1MAPTPKM
SCHEMBL24231609 0.65 HRH3 (0.39) CBFBFGFR1CYP11B1CYP11B2ABL1
SCHEMBL21282191 0.65 SMO (0.42) SMOS1PR1MAPTNPC1HSP90AA1

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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