SCHEMBL6493812

SCHEMBL6493812

Nc1ccc(C=Cc2nc3cc(F)ccc3o2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
KDM4E B2RXH2 2/20 0.46
CYP2D6 P10635 1/20 0.46
SNCA P37840 1/20 0.42
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
GFER P55789 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
APP P05067 3/20 0.41
KDM1A O60341 1/20 0.40
UTRN P46939 1/20 0.40
ATP4A P20648 2/20 0.40
ATP4B P51164 2/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL29814330 1.00 NPC1 (0.46) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL6482383 0.83 APP (0.49) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL30445749 0.82 APP (0.61) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL29580663 0.82 MEN1 (0.51) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL6490502 0.82 APP (0.61) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL11352886 0.79 UTRN (0.53) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL11352884 0.79 UTRN (0.53) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL4007077 0.79 MEN1 (0.59) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL4007081 0.79 MEN1 (0.59) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL6493815 0.78 NFE2L2 (0.40) NPC1RAB9AMEN1KMT2AALDH1A1

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 1787/4885MEN1 3565/4885

“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.