SCHEMBL21282194

SCHEMBL21282194

COc1ccc2nc(-c3noc(-c4cccc(Cl)c4)n3)ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 11/20 0.56
▸ SMN1; SMN2 Q16637 8/20 0.56
▸ MAPT P10636 7/20 0.56
▸ TSHR P16473 4/20 0.56
▸ MEN1 O00255 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ RAB9A P51151 10/20 0.52
▸ TP53 P04637 6/20 0.52
▸ TDP1 Q9NUW8 2/20 0.52
▸ NFKB1 P19838 1/20 0.52
▸ NFKB2 Q00653 1/20 0.52
▸ RELA Q04206 1/20 0.52
▸ PKM P14618 2/20 0.52
▸ GRM5 P41594 2/20 0.52
▸ MITF O75030 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ MAPK1 P28482 1/20 0.46

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 0.91 NPC1 (0.64) NPC1SMN1; SMN2MAPTTSHRMEN1
SCHEMBL21273248 0.82 RAB9A (0.65) NPC1SMN1; SMN2MAPTTSHRRAB9A
SCHEMBL21282193 0.81 KDM4E (0.60) NPC1SMN1; SMN2MAPTTSHRRAB9A
SCHEMBL21282219 0.81 RAB9A (0.48) NPC1SMN1; SMN2MAPTTSHRMEN1
SCHEMBL21282172 0.81 NPC1 (0.61) NPC1SMN1; SMN2MAPTTSHRRAB9A
SCHEMBL21282216 0.81 NPC1 (0.54) NPC1SMN1; SMN2MAPTTSHRMEN1
SCHEMBL21282156 0.81 S1PR1 (0.44) NPC1SMN1; SMN2MAPTTSHRMEN1
SCHEMBL21980365 0.80 NPC1 (0.74) NPC1SMN1; SMN2MAPTTSHRMEN1
SCHEMBL21273251 0.80 S1PR1 (0.53) NPC1SMN1; SMN2MAPTTSHRMEN1
SCHEMBL21282213 0.78 NPC1 (0.69) NPC1SMN1; SMN2MAPTTSHRMEN1

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 382/4885SMN1; SMN2 328/4885MAPT 58/4885

“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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