SCHEMBL21282191

SCHEMBL21282191

COc1ccc2nc(-c3noc(-c4cocn4)n3)ccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 2/20 0.42
▸ NCF1 P14598 1/20 0.42
▸ NPC1 O15118 7/20 0.40
▸ RAB9A P51151 7/20 0.40
▸ SMN1; SMN2 Q16637 7/20 0.40
▸ PKM P14618 2/20 0.40
▸ GRM5 P41594 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ NQO1 P15559 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ MAPT P10636 7/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ LMNA P02545 3/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ HSD17B10 Q99714 3/20 0.37
▸ HPGD P15428 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ TP53 P04637 3/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ NFKB1 P19838 2/20 0.37

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
SCHEMBL21282220 0.80 POLB (0.46) SMONCF1NPC1RAB9ASMN1; SMN2
SCHEMBL21282172 0.78 NPC1 (0.61) NPC1RAB9ASMN1; SMN2PKMGRM5
SCHEMBL21282219 0.78 RAB9A (0.48) NCF1NPC1RAB9ASMN1; SMN2PKM
SCHEMBL21282179 0.78 NPC1 (0.64) NPC1RAB9ASMN1; SMN2PKMGRM5
SCHEMBL21282161 0.77 CASP3 (0.42) SMONCF1NPC1RAB9ASMN1; SMN2
SCHEMBL21273251 0.77 S1PR1 (0.53) NPC1RAB9ASMN1; SMN2PKMGRM5
SCHEMBL21282193 0.76 KDM4E (0.60) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL21282216 0.76 NPC1 (0.54) NPC1RAB9ASMN1; SMN2PKMGRM5
SCHEMBL21273264 0.76 SMO (0.42) SMONCF1NPC1RAB9ASMN1; SMN2
SCHEMBL21273248 0.74 RAB9A (0.65) NPC1RAB9ASMN1; SMN2PKMMAPT

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 SMO 3104/4885NCF1 1403/4885NPC1 382/4885

“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