SCHEMBL3465868

SCHEMBL3465868

Fc1ccc(/C(=C/c2ccc(Cl)cc2Cl)CBr)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 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
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
PTPN1 P18031 1/20 0.38
KCNMA1 Q12791 1/20 0.38
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.36
GRIN2B Q13224 3/20 0.35
GRIN2D O15399 2/20 0.35
GRIN3B O60391 2/20 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
SCHEMBL3465871 1.00 GABRA1 (0.41) GABRA1GABRG2GABRB3MAPTNPC1
SCHEMBL3465810 0.91 GSK3B (0.38) GABRA1GABRG2GABRB3MAPTNPC1
SCHEMBL3465809 0.91 GSK3B (0.38) GABRA1GABRG2GABRB3MAPTNPC1
SCHEMBL3466008 0.91 PTPN1 (0.40) GABRA1GABRG2GABRB3MAPTNPC1
SCHEMBL3466010 0.91 PTPN1 (0.40) GABRA1GABRG2GABRB3MAPTNPC1
SCHEMBL3466767 0.91 GABRA1 (0.45) GABRA1GABRG2GABRB3MAPTNPC1
SCHEMBL3466769 0.91 GABRA1 (0.45) GABRA1GABRG2GABRB3MAPTNPC1
SCHEMBL3466020 0.87 GABRA1 (0.42) GABRA1GABRG2GABRB3MAPTRAB9A
SCHEMBL3466019 0.87 GABRA1 (0.42) GABRA1GABRG2GABRB3MAPTRAB9A
SCHEMBL3467390 0.85 PDPK1 (0.45) GABRA1GABRG2GABRB3MAPTCYP1A2

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 3 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

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.