SCHEMBL2604909

SCHEMBL2604909

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 10/20 0.54
MAPT P10636 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 3/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
KDM4E B2RXH2 3/20 0.40
RXFP1 Q9HBX9 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
GRK6 P43250 1/20 0.36
RELA Q04206 1/20 0.36
CASP1 P29466 2/20 0.36
HBB P68871 2/20 0.36
GAA P10253 1/20 0.36

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) APPMAPTMEN1KMT2AALDH1A1
SCHEMBL10046156 0.86 ALDH1A1 (0.54) APPMAPTMEN1KMT2AALDH1A1
SCHEMBL2604898 0.84 APP (0.54) APPMAPTMEN1KMT2AALDH1A1
SCHEMBL2604955 0.83 MEN1 (0.49) APPMAPTMEN1KMT2AALDH1A1
SCHEMBL2606579 0.83 MAPT (0.56) APPMAPTMEN1KMT2AALDH1A1
SCHEMBL13914176 0.82 MAPT (0.55) MAPTMEN1KMT2AALDH1A1NPC1
SCHEMBL2604956 0.81 MEN1 (0.44) APPMAPTMEN1KMT2AALDH1A1
SCHEMBL13306037 0.80 ALDH1A1 (0.46) APPMAPTMEN1KMT2AALDH1A1
SCHEMBL2604954 0.80 MEN1 (0.49) APPMAPTMEN1KMT2AALDH1A1
SCHEMBL18994843 0.79 ALDH1A1 (0.50) APPMAPTMEN1KMT2AALDH1A1

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.