SCHEMBL3466010

SCHEMBL3466010

Fc1ccc(C(=Cc2ccc(F)cc2Cl)CBr)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.40
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA7 P43166 1/20 0.34
HSD11B1 P28845 1/20 0.34
NPC1 O15118 2/20 0.33
MAPT P10636 2/20 0.33
RAB9A P51151 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
MDM2 Q00987 1/20 0.32

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
SCHEMBL3466008 1.00 PTPN1 (0.40) PTPN1CA1CA2CA4CA7
SCHEMBL3465810 0.94 GSK3B (0.38) PTPN1CA1CA2CA4CA7
SCHEMBL3465809 0.94 GSK3B (0.38) PTPN1CA1CA2CA4CA7
SCHEMBL3466707 0.91 SMN1; SMN2 (0.37) PTPN1CA1CA2CA4CA7
SCHEMBL3466709 0.91 SMN1; SMN2 (0.37) PTPN1CA1CA2CA4CA7
SCHEMBL3465868 0.91 GABRA1 (0.41) PTPN1NPC1MAPTRAB9ACYP1A2
SCHEMBL3465871 0.91 GABRA1 (0.41) PTPN1NPC1MAPTRAB9ACYP1A2
SCHEMBL9733987 0.84 MAPT (0.47) PTPN1HSD11B1NPC1MAPTRAB9A
SCHEMBL9733978 0.84 MAPT (0.47) PTPN1HSD11B1NPC1MAPTRAB9A
SCHEMBL9668754 0.84 MAPT (0.47) PTPN1HSD11B1NPC1MAPTRAB9A

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 570/4885CA1 422/4885CA2 314/4885

“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.