SCHEMBL3971796

SCHEMBL3971796

COC(=O)c1nc(C(C)=O)cc(Cl)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.44
NQO2 P16083 8/20 0.43
KDM4E B2RXH2 3/20 0.39
PKM P14618 2/20 0.39
RCE1 Q9Y256 1/20 0.39
S1PR4 O95977 1/20 0.37
ALDH1A1 P00352 4/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NOTUM Q6P988 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL27533062 0.84 GPR35 (0.36) NQO2ALDH1A1SMN1; SMN2
SCHEMBL3979098 0.84 NQO2 (0.47) NPSR1NQO2KDM4EPKMRCE1
SCHEMBL6163871 0.81 NQO2 (0.49) NPSR1NQO2KDM4EALDH1A1NOTUM
SCHEMBL2133062 0.81 NPSR1 (0.48) NPSR1NQO2KDM4EPKMRCE1
SCHEMBL15449703 0.78 ABL1 (0.39) ALDH1A1SMN1; SMN2
SCHEMBL14356406 0.78 GLP1R (0.40) NPSR1NQO2S1PR4ALDH1A1L3MBTL1
SCHEMBL9297992 0.77 NQO2 (0.43) NPSR1NQO2KDM4EALDH1A1L3MBTL1
SCHEMBL10198533 0.77 LMNA (0.47) NPSR1NQO2KDM4EALDH1A1NOTUM
SCHEMBL6163002 0.77 S1PR4 (0.37) NPSR1NQO2KDM4EPKMRCE1
SCHEMBL6167178 0.76 RAB9A (0.44) KDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651607-B1 6-(1,1-DIFLUOROALKYL)-4-AMINOPICOLINATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2009-05-06 EP disclosed
EP-1651607-B1 6-(1,1-DIFLUOROALKYL)-4-AMINOPICOLINATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2009-05-06 EP disclosed
US-7291580-B2 6-(1,1-difluoroalkyl)-4-aminopicolinates and their use as herbicides DOW AGROSCIENCES LLC (US) 2007-11-06 US disclosed
US-7291580-B2 6-(1,1-difluoroalkyl)-4-aminopicolinates and their use as herbicides DOW AGROSCIENCES LLC (US) 2007-11-06 US disclosed
US-7291580-B2 6-(1,1-difluoroalkyl)-4-aminopicolinates and their use as herbicides DOW AGROSCIENCES LLC (US) 2007-11-06 US disclosed
EP-1651607-A1 6-(1,1-DIFLUOROALKYL)-4-AMINOPICOLINATES AND THEIR USE AS HERBICIDES Dow AgroSciences LLC (US) 2006-05-03 EP disclosed
WO-2005016887-A1 6-(1,1-DIFLUOROALKYL)-4-AMINOPICOLINATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2005-02-24 WO disclosed
US-20050032651-A1 6-(1,1-Difluoroalkyl)-4-aminopicolinates and their use as herbicides DOW AGROSCIENCES LLC 2005-02-10 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-20050032651-A1 6-(1,1-Difluoroalkyl)-4-aminopicolinates and their use as herbicides DDT, ALDH7A1, DDC NPSR1 2907/4885NQO2 536/4885KDM4E 667/4885

“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.