SCHEMBL3466767

SCHEMBL3466767

Clc1ccc(/C(=C/c2ccc(Cl)cc2Cl)CBr)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
TDP1 Q9NUW8 1/20 0.43
GSK3B P49841 1/20 0.42
PTGS1 P23219 1/20 0.40
MAPT P10636 4/20 0.38
GRIN2D O15399 2/20 0.38
GRIN3B O60391 2/20 0.38
GRIN1 Q05586 2/20 0.38
GRIN2A Q12879 2/20 0.38
GRIN2B Q13224 2/20 0.38
GRIN2C Q14957 2/20 0.38
GRIN3A Q8TCU5 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL3466769 1.00 GABRA1 (0.45) GABRA1GABRG2GABRB3TDP1GSK3B
SCHEMBL3466020 0.92 GABRA1 (0.42) GABRA1GABRG2GABRB3TDP1GSK3B
SCHEMBL3466019 0.92 GABRA1 (0.42) GABRA1GABRG2GABRB3TDP1GSK3B
SCHEMBL3465868 0.91 GABRA1 (0.41) GABRA1GABRG2GABRB3TDP1GSK3B
SCHEMBL3465871 0.91 GABRA1 (0.41) GABRA1GABRG2GABRB3TDP1GSK3B
SCHEMBL3467387 0.90 PDPK1 (0.45) GABRA1GABRG2GABRB3TDP1MAPT
SCHEMBL3467390 0.90 PDPK1 (0.45) GABRA1GABRG2GABRB3TDP1MAPT
SCHEMBL3465809 0.88 GSK3B (0.38) GABRA1GABRG2GABRB3TDP1GSK3B
SCHEMBL3465810 0.88 GSK3B (0.38) GABRA1GABRG2GABRB3TDP1GSK3B
SCHEMBL3466511 0.87 GABRA1 (0.41) GABRA1GABRG2GABRB3TDP1PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100273651-A1 Azolylmethyloxiranes, use Thereof and Agents Containing the Same BASF SE (DE) 2010-10-28 US disclosed
EP-2235005-A2 AZOLYLMETHYLOXIRANES, USE THEREOF AND AGENTS CONTAINING THE SAME BASF SE (DE) 2010-10-06 EP disclosed
WO-2009077500-A2 AZOLYLMETHYLOXIRANES, USE THEREOF AND AGENTS CONTAINING THE SAME BASF SE (DE) 2009-06-25 WO disclosed
EP-0196583-B1 USE OF AZOLYL METHYL OXIRANES TO COMBAT VIRAL DISEASES BASF Aktiengesellschaft (DE) 1991-10-23 EP disclosed
EP-0094564-B1 AZOLYL-METHYL OXIRANES, THEIR PREPARATION AND USE AS MEDICAMENTS AND PLANT PROTECTING AGENTS BASF Aktiengesellschaft (DE) 1987-09-30 EP disclosed
US-4652580-A Application of azolylmethyloxiranes for the treatment of viral diseases BASF AKTIENGESELLSCHAFT (DE) 1987-03-24 US disclosed
EP-0196583-A2 Use of azolyl methyl oxiranes to combat viral diseases BASF Aktiengesellschaft (DE) 1986-10-08 EP disclosed
US-4464381-A Fungicides containing azolylmethyloxiranes BASF AKTIENGESELLSCHAFT (DE) 1984-08-07 US disclosed
EP-0094564-A2 Azolyl-methyl oxiranes, their preparation and use as medicaments and plant protecting agents BASF Aktiengesellschaft (DE) 1983-11-23 EP 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-20100273651-A1 Azolylmethyloxiranes, use Thereof and Agents Containing the Same XDH, SQOR, NOX5 GABRA1 349/4885GABRG2 506/4885GABRB3 496/4885

“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.