SCHEMBL2139093

SCHEMBL2139093

COC(=O)c1nc(Cl)cc(NCc2ccccc2C(F)(F)F)c1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.51
SRC P12931 1/20 0.51
CD38 P28907 2/20 0.47
CYP3A4 P08684 1/20 0.47
HSP90AA1 P07900 1/20 0.46
HSP90B1 P14625 1/20 0.46
ACP1 P24666 1/20 0.45
HTT P42858 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
P2RX7 Q99572 3/20 0.42
HSD17B13 Q7Z5P4 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
AURKA O14965 1/20 0.39

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
SCHEMBL2137279 0.89 ABL1 (0.49) ABL1SRCCD38CYP3A4HSP90AA1
SCHEMBL2136868 0.87 ABL1 (0.47) ABL1SRCCD38CYP3A4HSP90AA1
SCHEMBL2134833 0.85 HSP90AA1 (0.43) CYP3A4HSP90AA1HSP90B1KDM4EALDH1A1
SCHEMBL2137198 0.84 ABL1 (0.47) ABL1SRCCD38CYP3A4HSP90AA1
SCHEMBL2140565 0.83 ABL1 (0.48) ABL1SRCCD38HSP90AA1HSP90B1
SCHEMBL2137639 0.83 BCHE (0.49) ABL1SRCHSP90AA1HSP90B1KDM4E
SCHEMBL2137266 0.80 HTT (0.51) CYP3A4HTTKDM4EALDH1A1
SCHEMBL2135021 0.80 CA1 (0.47) CYP3A4HTTKDM4EALDH1A1HDAC1
SCHEMBL14700174 0.78 SMN1; SMN2 (0.43) CYP3A4HSP90AA1HSP90B1KDM4EALDH1A1
SCHEMBL2134013 0.77 KCNQ3 (0.49) CYP3A4KDM4EALDH1A1CNR1CNR2

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-2445884-B1 4-AMINOPICOLINATES AND THEIR USE AS HERBICIDES SYNGENTA LTD (GB) 2013-02-13 EP disclosed
US-20120100990-A1 4 -AMINOPICOLINATES AND THEIR USE AS HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-04-26 US disclosed
US-20120100990-A1 4 -AMINOPICOLINATES AND THEIR USE AS HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-04-26 US disclosed
US-20120100990-A1 4 -AMINOPICOLINATES AND THEIR USE AS HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-04-26 US disclosed
WO-2010149956-A1 4 -AMINOPICOLINATES AND THEIR USE AS HERBICIDES SYNGENTA LIMITED (GB) 2010-12-29 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-20120100990-A1 4 -AMINOPICOLINATES AND THEIR USE AS HERBICIDES DDT, DAO, NPM1 ABL1 532/4885SRC 1958/4885CD38 4664/4885

“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.