SCHEMBL21282216

SCHEMBL21282216

COc1ccc2nc(-c3noc(-c4ccc5ncccc5c4)n3)ccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 12/20 0.54
▸ RAB9A P51151 11/20 0.54
▸ PKM P14618 3/20 0.54
▸ HSP90AA1 P07900 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ SMN1; SMN2 Q16637 7/20 0.54
▸ GRM5 P41594 1/20 0.54
▸ ALDH1A1 P00352 6/20 0.53
▸ MAPT P10636 6/20 0.53
▸ TP53 P04637 5/20 0.53
▸ HSD17B10 Q99714 4/20 0.53
▸ KDM4E B2RXH2 4/20 0.53
▸ LMNA P02545 3/20 0.53
▸ TSHR P16473 2/20 0.53
▸ KLF5 Q13887 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ HPGD P15428 2/20 0.47
▸ NFKB1 P19838 2/20 0.45
▸ NFKB2 Q00653 2/20 0.45
▸ RELA Q04206 2/20 0.45

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) NPC1RAB9APKMSMN1; SMN2GRM5
SCHEMBL21273248 0.83 RAB9A (0.65) NPC1RAB9APKMSMN1; SMN2ALDH1A1
SCHEMBL21273251 0.83 S1PR1 (0.53) NPC1RAB9APKMHSP90AA1L3MBTL1
SCHEMBL21282193 0.83 KDM4E (0.60) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL21282172 0.82 NPC1 (0.61) NPC1RAB9APKMHSP90AA1L3MBTL1
SCHEMBL21282194 0.81 NPC1 (0.56) NPC1RAB9APKML3MBTL1SMN1; SMN2
SCHEMBL21282219 0.80 RAB9A (0.48) NPC1RAB9APKMHSP90AA1L3MBTL1
SCHEMBL21282213 0.79 NPC1 (0.69) NPC1RAB9APKML3MBTL1SMN1; SMN2
SCHEMBL21282154 0.79 NPC1 (0.45) NPC1RAB9APKMHSP90AA1L3MBTL1
SCHEMBL21282220 0.77 POLB (0.46) NPC1RAB9APKMHSP90AA1L3MBTL1

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 NPC1 382/4885RAB9A 152/4885PKM 3792/4885

“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.

Send feedback