SCHEMBL3467390

SCHEMBL3467390

Clc1ccc(C=C(CBr)c2ccccc2)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 2/20 0.45
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 4/20 0.40
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
MAPT P10636 6/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TP53 P04637 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36

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
SCHEMBL3467387 1.00 PDPK1 (0.45) PDPK1GABRA1GABRG2GABRB3TDP1
SCHEMBL3466769 0.90 GABRA1 (0.45) PDPK1GABRA1GABRG2GABRB3TDP1
SCHEMBL3466767 0.90 GABRA1 (0.45) PDPK1GABRA1GABRG2GABRB3TDP1
SCHEMBL3466019 0.86 GABRA1 (0.42) GABRA1GABRG2GABRB3TDP1LMNA
SCHEMBL3466020 0.86 GABRA1 (0.42) GABRA1GABRG2GABRB3TDP1LMNA
SCHEMBL3465871 0.85 GABRA1 (0.41) GABRA1GABRG2GABRB3TDP1ALDH1A1
SCHEMBL3465868 0.85 GABRA1 (0.41) GABRA1GABRG2GABRB3TDP1ALDH1A1
SCHEMBL3466707 0.85 SMN1; SMN2 (0.37) PDPK1LMNAALDH1A1CYP1A2CYP2C19
SCHEMBL3466709 0.85 SMN1; SMN2 (0.37) PDPK1LMNAALDH1A1CYP1A2CYP2C19
SCHEMBL3466015 0.84 PTPN1 (0.44) GABRA1GABRG2GABRB3TDP1ALDH1A1

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 PDPK1 4377/4885GABRA1 349/4885GABRG2 506/4885

“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.