SCHEMBL2136399

SCHEMBL2136399

COC(=O)c1nc(Cl)cc(NCc2ccccc2C)c1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.46
SRC P12931 2/20 0.46
KCNN3 Q9UGI6 1/20 0.45
CD38 P28907 3/20 0.43
MAPT P10636 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
BRD4 O60885 2/20 0.41
KAT2B Q92831 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL2137055 0.90 HDAC8 (0.46) ABL1SRCKCNN3CD38MAPT
SCHEMBL14700195 0.88 ABL1 (0.47) ABL1SRCKCNN3CD38MAPT
SCHEMBL2137198 0.88 ABL1 (0.47) ABL1SRCKCNN3CD38MAPT
SCHEMBL2137867 0.88 SMN1; SMN2 (0.41) ABL1SRCMAPTCYP1A2CYP3A4
SCHEMBL2139058 0.88 KCNN3 (0.49) ABL1SRCKCNN3MAPTNPSR1
SCHEMBL12182375 0.86 KDM4C (0.39) MAPTHTTKDM4EGAAHPGD
SCHEMBL2136582 0.85 HTT (0.49) MAPTCYP3A4CYP2D6CYP2C19HTT
SCHEMBL2137279 0.85 ABL1 (0.49) ABL1SRCCD38CYP3A4HTT
SCHEMBL2132573 0.85 CA1 (0.45) KCNN3MAPTHTTHDAC8KDM4E
SCHEMBL2135378 0.84 ABL1 (0.44) ABL1SRCKCNN3CD38MAPT

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 1958/4885KCNN3 2241/4885

“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.