SCHEMBL21282195

SCHEMBL21282195

COc1ccc2nc(-c3noc(-c4ccc(-n5ccnc5)cc4)n3)ccc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 10/20 0.66
▸ MAOB P27338 10/20 0.66
▸ CYP11B1 P15538 1/20 0.56
▸ CYP11B2 P19099 1/20 0.56
▸ NPC1 O15118 6/20 0.47
▸ RAB9A P51151 6/20 0.47
▸ CASP3 P42574 1/20 0.47
▸ SENP8 Q96LD8 1/20 0.47
▸ SENP7 Q9BQF6 1/20 0.47
▸ SENP6 Q9GZR1 1/20 0.47
▸ PKM P14618 2/20 0.44
▸ HSP90AA1 P07900 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ TSHR P16473 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ MAPT P10636 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ S1PR1 P21453 1/20 0.40
▸ NR1H4 Q96RI1 1/20 0.40

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
SCHEMBL21282172 0.83 NPC1 (0.61) NPC1RAB9APKMHSP90AA1L3MBTL1
SCHEMBL21282162 0.82 NPC1 (0.47) MAOAMAOBNPC1RAB9APKM
SCHEMBL1903836 0.80 MAOA (1.00) MAOAMAOBCYP11B1CYP11B2NPC1
Hydrochloric Acid SCHEMBL1900894 0.79 MAOA (0.98) MAOAMAOBCYP11B1CYP11B2NPC1
SCHEMBL21282154 0.77 NPC1 (0.45) MAOAMAOBNPC1RAB9APKM
SCHEMBL21273248 0.77 RAB9A (0.65) CYP11B1CYP11B2NPC1RAB9APKM
SCHEMBL21282193 0.76 KDM4E (0.60) NPC1RAB9ATSHRHSD17B10MAPT
SCHEMBL21282179 0.76 NPC1 (0.64) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL21282219 0.76 RAB9A (0.48) NPC1RAB9APKMHSP90AA1L3MBTL1
SCHEMBL21282216 0.76 NPC1 (0.54) 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 MAOA 1234/4885MAOB 912/4885CYP11B1 4552/4885

“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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