SCHEMBL3466015

SCHEMBL3466015

Clc1ccc(/C=C(\CBr)c2ccc3ccccc3c2)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.44
CYP2A6 P11509 1/20 0.42
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
GRIN1 Q05586 2/20 0.39
GRIN2B Q13224 2/20 0.39
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
TDP1 Q9NUW8 3/20 0.36
PIN1 Q13526 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 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
SCHEMBL3466016 1.00 PTPN1 (0.44) PTPN1CYP2A6PTGS1PTGS2GRIN1
SCHEMBL3467390 0.84 PDPK1 (0.45) GRIN1GRIN2BGABRA1GABRG2GABRB3
SCHEMBL3467387 0.84 PDPK1 (0.45) GRIN1GRIN2BGABRA1GABRG2GABRB3
SCHEMBL3466769 0.84 GABRA1 (0.45) PTGS1GRIN1GRIN2BGABRA1GABRG2
SCHEMBL3466767 0.84 GABRA1 (0.45) PTGS1GRIN1GRIN2BGABRA1GABRG2
SCHEMBL3466019 0.80 GABRA1 (0.42) PTGS1GRIN1GRIN2BGABRA1GABRG2
SCHEMBL3466020 0.80 GABRA1 (0.42) PTGS1GRIN1GRIN2BGABRA1GABRG2
SCHEMBL3465868 0.79 GABRA1 (0.41) PTPN1GRIN1GRIN2BGABRA1GABRG2
SCHEMBL3465871 0.79 GABRA1 (0.41) PTPN1GRIN1GRIN2BGABRA1GABRG2
SCHEMBL3466511 0.76 GABRA1 (0.41) PTGS1GABRA1GABRG2GABRB3MEN1

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 PTPN1 570/4885CYP2A6 214/4885PTGS1 263/4885

“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.