SCHEMBL12509646

SCHEMBL12509646

COc1cccc(NC(=O)c2ccc(N=O)cc2)c1

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 8/20 0.76
▸ RAB9A P51151 8/20 0.76
▸ ALDH1A1 P00352 4/20 0.76
▸ TP53 P04637 3/20 0.76
▸ SMN1; SMN2 Q16637 3/20 0.76
▸ PKM P14618 1/20 0.76
▸ KMT2A Q03164 1/20 0.76
▸ NLRP3 Q96P20 1/20 0.72
▸ RXFP1 Q9HBX9 1/20 0.69
▸ TRPV1 Q8NER1 1/20 0.69
▸ KCNK9 Q9NPC2 2/20 0.64
▸ KCNK3 O14649 1/20 0.64
▸ NFKB1 P19838 1/20 0.60
▸ NFKB2 Q00653 1/20 0.60
▸ RELA Q04206 1/20 0.60
▸ HTT P42858 1/20 0.60
▸ PLAU P00749 1/20 0.60

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
SCHEMBL10055020 0.90 NPC1 (0.94) NPC1RAB9AALDH1A1TP53SMN1; SMN2
SCHEMBL4256368 0.87 NPC1 (1.00) NPC1RAB9AALDH1A1TP53SMN1; SMN2
SCHEMBL12509568 0.85 RAB9A (0.55) NPC1RAB9AALDH1A1TP53SMN1; SMN2
SCHEMBL31179863 0.84 NPC1 (0.83) NPC1RAB9AALDH1A1TP53SMN1; SMN2
SCHEMBL4252397 0.84 NPC1 (0.83) NPC1RAB9AALDH1A1TP53SMN1; SMN2
SCHEMBL29800540 0.84 NPC1 (1.00) NPC1RAB9AALDH1A1TP53SMN1; SMN2
SCHEMBL2176828 0.84 NPC1 (1.00) NPC1RAB9AALDH1A1TP53SMN1; SMN2
SCHEMBL4248632 0.83 RAB9A (0.81) NPC1RAB9AALDH1A1TP53SMN1; SMN2
SCHEMBL4250977 0.83 NPC1 (0.81) NPC1RAB9AALDH1A1TP53SMN1; SMN2
SCHEMBL94789 0.83 NPC1 (0.81) NPC1RAB9AALDH1A1TP53SMN1; SMN2

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-20110171739-A1 LIGANDS FOR AGGREGATED TAU MOLECULES WISTA LABORATORIES LTD. 2011-07-14 — — 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-20110171739-A1 LIGANDS FOR AGGREGATED TAU MOLECULES MAPT, PRNP, MAP4 NPC1 1265/4885RAB9A 2622/4885ALDH1A1 2058/4885

“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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