SCHEMBL21282193

SCHEMBL21282193

COc1ccc2nc(-c3noc(-c4ccc(OC)c(OC)c4)n3)ccc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.60
▸ MAPT P10636 7/20 0.60
▸ HSD17B10 Q99714 6/20 0.60
▸ ALDH1A1 P00352 5/20 0.60
▸ HPGD P15428 3/20 0.60
▸ SMN1; SMN2 Q16637 10/20 0.55
▸ NPC1 O15118 8/20 0.55
▸ RAB9A P51151 6/20 0.54
▸ TSHR P16473 5/20 0.54
▸ NPSR1 Q6W5P4 2/20 0.54
▸ HTT P42858 1/20 0.53
▸ LMNA P02545 2/20 0.51
▸ PPARG P37231 1/20 0.49
▸ NCOA2 Q15596 1/20 0.49
▸ NCOA1 Q15788 1/20 0.49
▸ NCOA3 Q9Y6Q9 1/20 0.49
▸ TP53 P04637 1/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ NFKB2 Q00653 1/20 0.48
▸ RELA Q04206 1/20 0.48

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
SCHEMBL21282179 0.85 NPC1 (0.64) MAPTHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL21282172 0.83 NPC1 (0.61) MAPTHSD17B10ALDH1A1SMN1; SMN2NPC1
SCHEMBL21282219 0.83 RAB9A (0.48) KDM4EMAPTHSD17B10ALDH1A1HPGD
SCHEMBL21282216 0.83 NPC1 (0.54) KDM4EMAPTHSD17B10ALDH1A1HPGD
SCHEMBL21282213 0.82 NPC1 (0.69) KDM4EMAPTHSD17B10ALDH1A1HPGD
SCHEMBL21273251 0.81 S1PR1 (0.53) KDM4EMAPTHSD17B10ALDH1A1HPGD
SCHEMBL21282194 0.81 NPC1 (0.56) MAPTHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL21273248 0.79 RAB9A (0.65) KDM4EMAPTHSD17B10ALDH1A1HPGD
SCHEMBL1660913 0.79 SMN1; SMN2 (0.82) KDM4EMAPTHSD17B10ALDH1A1HPGD
SCHEMBL21282156 0.78 S1PR1 (0.44) KDM4EMAPTHSD17B10ALDH1A1HPGD

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 KDM4E 4649/4885MAPT 58/4885HSD17B10 3815/4885

“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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