SCHEMBL21273248

SCHEMBL21273248

COc1ccc2nc(-c3noc(-c4cccnc4)n3)ccc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 8/20 0.65
▸ NPC1 O15118 7/20 0.65
▸ SMN1; SMN2 Q16637 4/20 0.65
▸ MAPT P10636 3/20 0.65
▸ TP53 P04637 3/20 0.65
▸ CYP1A2 P05177 1/20 0.65
▸ CYP3A4 P08684 1/20 0.65
▸ CYP2D6 P10635 1/20 0.65
▸ CYP2C9 P11712 1/20 0.65
▸ CYP2C19 P33261 1/20 0.65
▸ ALDH1A1 P00352 3/20 0.58
▸ HPGD P15428 2/20 0.58
▸ CYP17A1 P05093 2/20 0.54
▸ CYP11B2 P19099 2/20 0.54
▸ CYP19A1 P11511 1/20 0.54
▸ CYP11B1 P15538 1/20 0.54
▸ TSHR P16473 2/20 0.54
▸ HSD17B10 Q99714 2/20 0.54
▸ GAA P10253 1/20 0.54
▸ POLB P06746 1/20 0.53

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 0.86 NPC1 (0.61) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL21282179 0.86 NPC1 (0.64) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL21282216 0.83 NPC1 (0.54) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL21282194 0.82 NPC1 (0.56) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL21282219 0.81 RAB9A (0.48) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL21273251 0.80 S1PR1 (0.53) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL21282193 0.79 KDM4E (0.60) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL8040085 0.77 NPC1 (0.90) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL21282195 0.77 MAOA (0.66) RAB9ANPC1SMN1; SMN2MAPTCYP11B2
SCHEMBL21282156 0.76 S1PR1 (0.44) RAB9ANPC1SMN1; SMN2MAPTTP53

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12012394-B2 Alpha-synuclein ligands WASHINGTON UNIVERSITY (US) 2024-06-18 — — US disclosed
US-20190256492-A1 ALPHA-SYNUCLEIN LIGANDS WASHINGTON UNIVERSITY (US) 2019-08-22 — — US disclosed
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 (2 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
US-12012394-B2 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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