SCHEMBL3465809

SCHEMBL3465809

Fc1ccc(/C=C(\CBr)c2ccc(Cl)cc2)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MDM2 Q00987 8/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
PTGS1 P23219 1/20 0.36
LRRK2 Q5S007 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
PTPN1 P18031 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL3465810 1.00 GSK3B (0.38) GSK3BNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL3466008 0.94 PTPN1 (0.40) NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL3466010 0.94 PTPN1 (0.40) NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL3465871 0.91 GABRA1 (0.41) GSK3BNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL3465868 0.91 GABRA1 (0.41) GSK3BNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL3466709 0.88 SMN1; SMN2 (0.37) GSK3BNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL3466707 0.88 SMN1; SMN2 (0.37) GSK3BNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL3466767 0.88 GABRA1 (0.45) GSK3BNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL3466769 0.88 GABRA1 (0.45) GSK3BNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL3466020 0.81 GABRA1 (0.42) GSK3BRAB9ASMN1; SMN2MAPTALDH1A1

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 GSK3B 3537/4885NPC1 4700/4885RAB9A 4444/4885

“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.