SCHEMBL10345602

SCHEMBL10345602

C=C1c2ccccc2N(C)C(C)(C)C1C(C)C

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 1/20 0.35
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
LMNA P02545 1/20 0.33
PAX8 Q06710 1/20 0.33
MCL1 Q07820 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NSD2 O96028 1/20 0.33
APP P05067 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
SNCA P37840 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GPR3 P46089 1/20 0.31
IDO1 P14902 1/20 0.30

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
SCHEMBL16285651 0.81 ALDH1A1 (0.40) NR1H3ALDH1A1GAALMNAPAX8
Iodide SCHEMBL29133261 0.67 GAA (0.39) ALDH1A1GAALMNAPAX8MCL1
SCHEMBL8911633 0.66 LMNA (0.41) NR1H3ALDH1A1GAALMNAPAX8
SCHEMBL10345638 0.66 ALDH1A1 (0.39) ALDH1A1L3MBTL1KDM4EHPGDHSD17B10
SCHEMBL10346066 0.66 IDO1 (0.31) ALDH1A1GAALMNAKDM4EMAPT
SCHEMBL10346127 0.66 ADRA2A (0.33) NR1H3LMNAMAPTGPR3
SCHEMBL16286120 0.65 ALDH1A1 (0.42) ALDH1A1GAALMNAPAX8MCL1
SCHEMBL15216878 0.62 PRKCG (0.37) ALDH1A1GAALMNAPAX8MCL1
SCHEMBL23520298 0.61 ALDH1A1 (0.36) NR1H3ALDH1A1GAALMNAPAX8
SCHEMBL13889162 0.61 GPR3 (0.44) ALDH1A1GAALMNAKDM4EMAPT

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-20120184547-A1 METHODS FOR TREATING SCHIZOPHRENIA AFRAXIS, INC. (US) 2012-07-19 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-20120184547-A1 METHODS FOR TREATING SCHIZOPHRENIA PAK2, PAK3, PAK4 NR1H3 1108/4885ALDH1A1 2121/4885GAA 1293/4885

“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.