SCHEMBL21282155

SCHEMBL21282155

CC(C)Oc1ccc2nc(-c3noc(-c4ccn5ccnc5c4)n3)ccc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 4/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ TP53 P04637 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ KLF5 Q13887 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ NPC1 O15118 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ GRM5 P41594 3/20 0.34
▸ S1PR1 P21453 5/20 0.34
▸ S1PR4 O95977 1/20 0.34
▸ S1PR5 Q9H228 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ SMO Q99835 1/20 0.34

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
SCHEMBL21273258 0.89 SMO (0.36) PKMMAPTNPC1RAB9AS1PR1
SCHEMBL21282154 0.89 NPC1 (0.45) PKMSMN1; SMN2TP53MAPTKDM4E
SCHEMBL21282151 0.86 PKM (0.36) PKMSMN1; SMN2TP53MAPTKDM4E
SCHEMBL21282152 0.84 MAPT (0.47) PKMSMN1; SMN2TP53MAPTKDM4E
SCHEMBL21273259 0.79 S1PR1 (0.48) PKMSMN1; SMN2TP53MAPTKDM4E
SCHEMBL21273264 0.78 SMO (0.42) PKMSMN1; SMN2TP53MAPTALDH1A1
SCHEMBL21273247 0.75 SMO (0.35) PKMSMN1; SMN2MAPTALDH1A1NPC1
SCHEMBL21273250 0.73 MAPT (0.48) MAPTS1PR1F2RL3
SCHEMBL16965410 0.71 FDPS (0.42) MAP4K4PIK3CDABL1EGFRHCK
SCHEMBL24231609 0.69 HRH3 (0.39) TP53ALDH1A1LMNAL3MBTL1MAP4K4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20190256492-A1 ALPHA-SYNUCLEIN LIGANDS SNCA, PARK7, LRRK2 PKM 3792/4885SMN1; SMN2 328/4885TP53 2218/4885

“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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