SCHEMBL21282219

SCHEMBL21282219

COc1ccc2nc(-c3noc(-c4cc(OC)nc(OC)c4)n3)ccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 9/20 0.48
▸ NPC1 O15118 8/20 0.48
▸ SMN1; SMN2 Q16637 8/20 0.48
▸ MAPT P10636 6/20 0.48
▸ MEN1 O00255 5/20 0.48
▸ KMT2A Q03164 5/20 0.48
▸ TP53 P04637 4/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ NFKB1 P19838 2/20 0.47
▸ NFKB2 Q00653 2/20 0.47
▸ RELA Q04206 2/20 0.47
▸ TSHR P16473 2/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ S1PR1 P21453 1/20 0.46
▸ NR1H4 Q96RI1 1/20 0.46
▸ HPGD P15428 5/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ PKM P14618 3/20 0.45
▸ PTPN7 P35236 1/20 0.45
▸ BLM P54132 1/20 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
SCHEMBL21282156 0.92 S1PR1 (0.44) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL21273251 0.88 S1PR1 (0.53) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL21282172 0.85 NPC1 (0.61) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL21282179 0.85 NPC1 (0.64) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL21282193 0.83 KDM4E (0.60) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL21273248 0.81 RAB9A (0.65) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL21282194 0.81 NPC1 (0.56) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL21282216 0.80 NPC1 (0.54) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL21282220 0.80 POLB (0.46) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL21282191 0.78 SMO (0.42) RAB9ANPC1SMN1; SMN2MAPTMEN1

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 RAB9A 152/4885NPC1 382/4885SMN1; SMN2 328/4885

“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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