SCHEMBL10046157

SCHEMBL10046157

CN(CCC#N)c1ccc(/C=C/c2ccc(/C=C/c3ccc(N(C)CCC#N)cc3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.52
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
ALDH1A1 P00352 5/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
KDM4E B2RXH2 3/20 0.46
RXFP1 Q9HBX9 1/20 0.42
RELA Q04206 1/20 0.41
CASP1 P29466 2/20 0.41
HBB P68871 2/20 0.41
GAA P10253 2/20 0.41
BRCA1 P38398 1/20 0.41
CASP7 P55210 1/20 0.41
APP P05067 6/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 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
SCHEMBL10046156 0.93 ALDH1A1 (0.54) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL2604898 0.92 APP (0.54) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL2604909 0.92 APP (0.54) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL2604955 0.91 MEN1 (0.49) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL2606579 0.91 MAPT (0.56) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL13914176 0.89 MAPT (0.55) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL2604956 0.88 MEN1 (0.44) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL13306037 0.87 ALDH1A1 (0.46) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL2604954 0.87 MEN1 (0.49) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL18994843 0.86 ALDH1A1 (0.50) MAPTMEN1KMT2AALDH1A1SMN1; SMN2

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 2 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-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 MAPT 4/4885MEN1 2123/4885KMT2A 3853/4885

“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.