SCHEMBL2604898

SCHEMBL2604898

CN(CCC#N)c1ccc(/C=C/c2ccc(F)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.54
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4A O75164 2/20 0.43
KDM2A Q9Y2K7 2/20 0.43
NFE2L2 Q16236 3/20 0.42
TP53 P04637 1/20 0.41
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
MAT2A P31153 1/20 0.37
KCNH2 Q12809 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL10046157 0.92 MAPT (0.52) APPMAPTMEN1NPC1ALDH1A1
SCHEMBL2604896 0.86 NFE2L2 (0.50) APPMAPTMEN1NPC1ALDH1A1
SCHEMBL10046156 0.86 ALDH1A1 (0.54) APPMAPTMEN1NPC1ALDH1A1
SCHEMBL22198816 0.85 TNFRSF1A (0.57) APPMAPTMEN1NPC1ALDH1A1
SCHEMBL2604909 0.84 APP (0.54) APPMAPTMEN1NPC1ALDH1A1
SCHEMBL2604955 0.83 MEN1 (0.49) APPMAPTMEN1NPC1ALDH1A1
SCHEMBL2606579 0.83 MAPT (0.56) APPMAPTMEN1NPC1ALDH1A1
SCHEMBL13914176 0.82 MAPT (0.55) MAPTMEN1NPC1ALDH1A1RAB9A
SCHEMBL2604956 0.81 MEN1 (0.44) APPMAPTMEN1NPC1ALDH1A1
SCHEMBL13306037 0.80 ALDH1A1 (0.46) APPMAPTMEN1NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158380-B2 Imaging agents for protein misfolding NEW YORK UNIVERSITY (US) 2012-04-17 US disclosed
US-8158380-B2 Imaging agents for protein misfolding NEW YORK UNIVERSITY (US) 2012-04-17 US disclosed
US-20100279340-A1 Imaging agents for protein misfolding NYU (US) 2010-11-04 US disclosed
US-20100279340-A1 Imaging agents for protein misfolding NYU (US) 2010-11-04 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-20100279340-A1 Imaging agents for protein misfolding APBA1, APP, SPG11 APP 2/4885MAPT 4/4885MEN1 2123/4885

“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.