SCHEMBL3822846

SCHEMBL3822846

CC(=O)C(=Cc1ccc(Cl)cc1Cl)c1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.47
GABRG2 P18507 2/20 0.47
GABRB3 P28472 2/20 0.47
ALDH1A1 P00352 6/20 0.41
MAPT P10636 5/20 0.41
POLB P06746 4/20 0.41
LMNA P02545 4/20 0.41
KDM4E B2RXH2 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
RAB9A P51151 3/20 0.41
MCL1 Q07820 2/20 0.41
STAT3 P40763 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
PSMD14 O00487 1/20 0.40
MMP2 P08253 1/20 0.40
HTT P42858 1/20 0.40
BLM P54132 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
SCHEMBL3822843 1.00 GABRA1 (0.47) GABRA1GABRG2GABRB3ALDH1A1MAPT
SCHEMBL6808290 0.91 GABRA1 (0.51) GABRA1GABRG2GABRB3ALDH1A1MAPT
SCHEMBL6025838 0.91 GABRA1 (0.51) GABRA1GABRG2GABRB3ALDH1A1MAPT
Valine SCHEMBL6025321 0.78 GABRA1 (0.40) GABRA1GABRG2GABRB3ALDH1A1MAPT
SCHEMBL2080589 0.75 GABRA1 (0.44) GABRA1GABRG2GABRB3ALDH1A1MAPT
SCHEMBL2080588 0.75 GABRA1 (0.44) GABRA1GABRG2GABRB3ALDH1A1MAPT
SCHEMBL12784706 0.75 GABRA1 (0.44) GABRA1GABRG2GABRB3ALDH1A1MAPT
SCHEMBL3466020 0.74 GABRA1 (0.42) GABRA1GABRG2GABRB3ALDH1A1MAPT
SCHEMBL3466019 0.74 GABRA1 (0.42) GABRA1GABRG2GABRB3ALDH1A1MAPT
SCHEMBL7822858 0.73 GABRA1 (0.56) GABRA1GABRG2GABRB3ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937672-B1 N-[(4,5-DIPHENYLPYRIMIDIN-2-YL)METHYL]AMINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR THERAPEUTIC USE SANOFI AVENTIS (FR) 2009-09-02 EP disclosed
US-7541361-B2 N-[4,5-diphenylpyrimidin-2-yl)methyl]amine derivatives, the preparation thereof and their therapeutic use SANOFI-AVENTIS (FR) 2009-06-02 US disclosed
US-20080176867-A1 N-[(4,5-DIPHENYLPYRIMIDIN-2-YL)METHYL]AMINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2008-07-24 US disclosed
EP-1937672-A1 N-[(4,5-DIPHENYLPYRIMIDIN-2-YL)METHYL]AMINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR THERAPEUTIC USE Sanofi-Aventis (FR) 2008-07-02 EP disclosed
WO-2007006928-A1 N-[(4,5-DIPHENYLPYRIMIDIN-2-YL)METHYL]AMINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2007-01-18 WO 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-20080176867-A1 N-[(4,5-DIPHENYLPYRIMIDIN-2-YL)METHYL]AMINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR THERAPEUTIC USE NQO1, PRMT5, QDPR GABRA1 2206/4885GABRG2 2824/4885GABRB3 1855/4885

“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.