SCHEMBL2467017

SCHEMBL2467017

CC(OC(=O)c1ccc(Cl)cc1)C(CNC(=O)c1ccc(Cl)cc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 1/20 0.55
SLC6A9 P48067 3/20 0.50
SLC6A5 Q9Y345 3/20 0.50
RAB9A P51151 5/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NPC1 O15118 4/20 0.47
CYP27B1 O15528 2/20 0.47
CYP24A1 Q07973 2/20 0.47
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KCNA3 P22001 1/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 1/20 0.46
UTS2R Q9UKP6 1/20 0.45

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
SCHEMBL2470778 0.88 GPR139 (0.53) GPR139SLC6A9SLC6A5RAB9ASMN1; SMN2
SCHEMBL2467907 0.87 NPC1 (0.53) SLC6A9SLC6A5RAB9ASMN1; SMN2GAA
SCHEMBL14243641 0.86 SLC6A9 (0.51) GPR139SLC6A9SLC6A5RAB9ASMN1; SMN2
SCHEMBL2468306 0.85 GPR139 (0.51) GPR139SLC6A9SLC6A5RAB9ASMN1; SMN2
SCHEMBL2466993 0.85 GPR139 (0.50) GPR139SLC6A9SLC6A5RAB9ASMN1; SMN2
SCHEMBL2466319 0.84 GPR139 (0.49) GPR139SLC6A9SLC6A5RAB9ASMN1; SMN2
SCHEMBL2462152 0.81 GPR139 (0.52) GPR139SLC6A9SLC6A5RAB9ASMN1; SMN2
SCHEMBL2470780 0.81 GPR139 (0.52) GPR139SLC6A9SLC6A5RAB9ASMN1; SMN2
SCHEMBL2516114 0.80 MEN1 (0.48) GPR139RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2470759 0.80 GPR139 (0.50) GPR139SLC6A9SLC6A5RAB9ASMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2539378-B1 HALOGENATED AMIDE ESTER AND INTERNAL ELECTRON DONOR WITH SAME GRACE W R & CO (US) 2018-06-06 EP disclosed
US-8466081-B2 Halogenated amide ester and internal electron donor with same DOW GLOBAL TECHNOLOGIES LLC (US) 2013-06-18 US disclosed
EP-2539378-A1 HALOGENATED AMIDE ESTER AND INTERNAL ELECTRON DONOR WITH SAME Dow Global Technologies LLC (US) 2013-01-02 EP disclosed
US-20120322964-A1 Halogenated Amide Ester and Internal Electron Donor with Same DOW GLOBAL TECHNOLOGIES LLC (US) 2012-12-20 US disclosed
WO-2011106497-A1 HALOGENATED AMIDE ESTER AND INTERNAL ELECTRON DONOR WITH SAME DOW GLOBAL TECHNOLOGIES LLC (US) 2011-09-01 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-20120322964-A1 Halogenated Amide Ester and Internal Electron Donor with Same NAT10, NAT1, NAA50 GPR139 3497/4885SLC6A9 963/4885SLC6A5 763/4885

“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.