SCHEMBL14243641

SCHEMBL14243641

O=C(NCC(c1ccccc1)C(OC(=O)c1ccc(Cl)cc1)c1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 5/20 0.51
SLC6A5 Q9Y345 4/20 0.51
GPR139 Q6DWJ6 1/20 0.50
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP27B1 O15528 2/20 0.47
CYP24A1 Q07973 2/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
PRMT5 O14744 2/20 0.44
CYP1A1 P04798 1/20 0.44
CYP19A1 P11511 1/20 0.44
P2RX7 Q99572 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL14243987 0.87 SLC6A9 (0.48) SLC6A9SLC6A5GAANPC1RAB9A
SCHEMBL2467017 0.86 GPR139 (0.55) SLC6A9SLC6A5GPR139KDM4EGAA
SCHEMBL2462152 0.85 GPR139 (0.52) SLC6A9SLC6A5GPR139KDM4EGAA
SCHEMBL2468838 0.84 GPR139 (0.48) SLC6A9SLC6A5GPR139KDM4EGAA
SCHEMBL2466993 0.84 GPR139 (0.50) SLC6A9SLC6A5GPR139KDM4EGAA
SCHEMBL2470778 0.84 GPR139 (0.53) SLC6A9SLC6A5GPR139KDM4EGAA
SCHEMBL2470759 0.83 GPR139 (0.50) SLC6A9SLC6A5GPR139KDM4EGAA
SCHEMBL2466319 0.83 GPR139 (0.49) SLC6A9SLC6A5GPR139KDM4EGAA
SCHEMBL2468306 0.82 GPR139 (0.51) SLC6A9SLC6A5GPR139KDM4EGAA
SCHEMBL2470780 0.78 GPR139 (0.52) SLC6A9SLC6A5GPR139KDM4EGAA

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 4 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
CN-103140510-B Halogenated amide esters and internal electron donors comprising same DOW GLOBAL TECHNOLOGIES LLC 2015-06-24 CN disclosed
US-8466081-B2 Halogenated amide ester and internal electron donor with same DOW GLOBAL TECHNOLOGIES LLC (US) 2013-06-18 US disclosed
US-20120322964-A1 Halogenated Amide Ester and Internal Electron Donor with Same DOW GLOBAL TECHNOLOGIES LLC (US) 2012-12-20 US 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 SLC6A9 963/4885SLC6A5 763/4885GPR139 3497/4885

“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.