SCHEMBL6490502

SCHEMBL6490502

CN(C)c1ccc(C=Cc2nc3cc(F)ccc3o2)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APP P05067 14/20 0.61
MAPT P10636 2/20 0.47
TP53 P04637 1/20 0.47
INSR P06213 2/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP2D6 P10635 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
ATP4A P20648 1/20 0.43
ATP4B P51164 1/20 0.43

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
SCHEMBL30445749 1.00 APP (0.61) APPMAPTTP53INSRKDM4E
SCHEMBL30446042 0.90 APP (0.61) APPMAPTTP53INSRKDM4E
SCHEMBL6531891 0.90 APP (0.61) APPMAPTTP53INSRKDM4E
SCHEMBL10036022 0.84 APP (0.61) APPMAPTINSRKDM4EATP4A
SCHEMBL6493812 0.82 NPC1 (0.46) APPMAPTTP53KDM4EMEN1
SCHEMBL29814330 0.82 NPC1 (0.46) APPMAPTTP53KDM4EMEN1
SCHEMBL29580663 0.82 MEN1 (0.51) APPMAPTTP53KDM4EMEN1
SCHEMBL10036021 0.81 MEN1 (0.61) APPMAPTINSRKDM4EMEN1
SCHEMBL11136666 0.81 INSR (0.51) APPMAPTINSRMEN1NPC1
SCHEMBL11136663 0.81 INSR (0.51) APPMAPTINSRMEN1NPC1

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 APP 8/4885MAPT 7/4885TP53 449/4885

“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.