SCHEMBL2887835

SCHEMBL2887835

COc1ccc(NNC(=O)C(C)(C)C)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.57
NPSR1 Q6W5P4 2/20 0.54
SMN1; SMN2 Q16637 5/20 0.53
GAA P10253 4/20 0.53
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 2/20 0.53
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
PDK1 Q15118 1/20 0.51
PDK2 Q15119 1/20 0.51
PDK3 Q15120 1/20 0.51
PDK4 Q16654 1/20 0.51
L3MBTL1 Q9Y468 3/20 0.50
P2RX7 Q99572 1/20 0.50
HTT P42858 1/20 0.50
POLB P06746 1/20 0.49
MAPT P10636 2/20 0.47
TP53 P04637 1/20 0.47
ALOX15 P16050 1/20 0.47
THRB P10828 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
SCHEMBL8020298 0.84 PTGS2 (0.55) PTGS2NPSR1SMN1; SMN2GAAKDM4E
Hydrogen Sulfide SCHEMBL8030072 0.83 PTGS2 (0.54) PTGS2SMN1; SMN2GAAKDM4EALDH1A1
SCHEMBL11356431 0.81 L3MBTL1 (0.73) NPSR1SMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL20984200 0.81 PTGS2 (0.64) PTGS2NPSR1SMN1; SMN2GAAKDM4E
SCHEMBL425146 0.79 PTGS2 (0.62) PTGS2NPSR1SMN1; SMN2GAAKDM4E
SCHEMBL2831390 0.79 PTGS2 (0.67) PTGS2NPSR1SMN1; SMN2GAAKDM4E
SCHEMBL4365909 0.79 PTGS2 (0.54) PTGS2NPSR1SMN1; SMN2GAAKDM4E
SCHEMBL4028705 0.78 PTGS2 (0.60) PTGS2NPSR1SMN1; SMN2GAAKDM4E
SCHEMBL6637261 0.77 GAA (0.62) PTGS2SMN1; SMN2GAAKDM4EALDH1A1
SCHEMBL9771265 0.76 L3MBTL1 (0.59) SMN1; SMN2KDM4EALDH1A1NPC1RAB9A

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
US-20100197696-A1 PESTICIDAL HETEROCYCLIC DIHALOALLYL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-08-05 US disclosed
US-7723362-B2 Pesticidal heterocyclic dihaloallyl compounds SYNGENTA CROP PROTECTION, INC. (US) 2010-05-25 US disclosed
US-20070299064-A1 Pesticidal Heterocyclic Dihaloallyl Compounds SYNGENTA CROP PROTECTION, INC. 2007-12-27 US disclosed
EP-1706392-A2 PESTICIDAL HETEROCYCLIC DIHALOALLYL COMPOUNDS Syngenta Participations AG (CH) 2006-10-04 EP disclosed
WO-2005068445-A2 PESTICIDAL HETEROCYCLIC DIHALOALLYL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2005-07-28 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 (2 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-20070299064-A1 Pesticidal Heterocyclic Dihaloallyl Compounds DDT, CYP8B1, EPHX2 PTGS2 603/4885NPSR1 1225/4885SMN1; SMN2 4722/4885
US-20100197696-A1 PESTICIDAL HETEROCYCLIC DIHALOALLYL COMPOUNDS DDT, CYP8B1, EPHX2 PTGS2 603/4885NPSR1 1225/4885SMN1; SMN2 4722/4885

“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.