SCHEMBL6481416

SCHEMBL6481416

Nc1ccc(/C=C/c2nc3ccccc3[nH]2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 11/20 0.76
▸ RAB9A P51151 11/20 0.76
▸ ALDH1A1 P00352 9/20 0.76
▸ KMT2A Q03164 9/20 0.76
▸ KDM4E B2RXH2 8/20 0.76
▸ MEN1 O00255 8/20 0.76
▸ SMN1; SMN2 Q16637 6/20 0.76
▸ HPGD P15428 5/20 0.76
▸ PKM P14618 3/20 0.76
▸ HSP90AA1 P07900 1/20 0.76
▸ MAPT P10636 9/20 0.72
▸ LMNA P02545 4/20 0.72
▸ GAA P10253 3/20 0.72
▸ TP53 P04637 2/20 0.72
▸ GLA P06280 2/20 0.72
▸ APP P05067 1/20 0.65
▸ HTT P42858 3/20 0.55
▸ NFKB1 P19838 2/20 0.55
▸ NFKB2 Q00653 2/20 0.55
▸ RELA Q04206 2/20 0.55

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
SCHEMBL6481418 1.00 NPC1 (0.76) NPC1RAB9AALDH1A1KMT2AKDM4E
SCHEMBL31305038 0.92 NPC1 (0.89) NPC1RAB9AALDH1A1KMT2AKDM4E
Sulfuric Acid SCHEMBL6482500 0.92 NPC1 (0.64) NPC1RAB9AALDH1A1KMT2AKDM4E
Sulfuric Acid SCHEMBL6482505 0.92 NPC1 (0.64) NPC1RAB9AALDH1A1KMT2AKDM4E
SCHEMBL537905 0.86 NPC1 (1.00) NPC1RAB9AALDH1A1KMT2AKDM4E
SCHEMBL29660212 0.86 NPC1 (1.00) NPC1RAB9AALDH1A1KMT2AKDM4E
SCHEMBL537904 0.86 NPC1 (1.00) NPC1RAB9AALDH1A1KMT2AKDM4E
SCHEMBL29539476 0.84 ALDH1A1 (0.81) NPC1RAB9AALDH1A1KMT2AKDM4E
SCHEMBL1086985 0.84 ALDH1A1 (0.81) NPC1RAB9AALDH1A1KMT2AKDM4E
SCHEMBL1086983 0.84 ALDH1A1 (0.81) NPC1RAB9AALDH1A1KMT2AKDM4E

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-20050260126-A1 Diagnostic probes and remedies for diseases with accumulation of prion protein, and stains for prion protein BF RESEARCH INSTITUTE (JP) 2005-11-24 — — 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-20050260126-A1 Diagnostic probes and remedies for diseases with accumulation of prion protein, and stains for prion protein PRNP, PRPH, PCNP NPC1 147/4885RAB9A 1787/4885ALDH1A1 1577/4885

“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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