SCHEMBL17816225

SCHEMBL17816225

CN(C(=O)C(C)(C)C)c1ccc(C(C)(C)C)nc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.36
MLYCD O95822 1/20 0.35
KMT2A Q03164 2/20 0.35
CYP2C19 P33261 2/20 0.34
MEN1 O00255 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPY2R P49146 1/20 0.34
GPBAR1 Q8TDU6 5/20 0.33
OXTR P30559 1/20 0.33
CCR9 P51686 2/20 0.33
MAPK13 O15264 1/20 0.31
MAPK12 P53778 1/20 0.31
MAPK11 Q15759 1/20 0.31
MAPK14 Q16539 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL16454352 0.81 HDAC1 (0.39) NOTUMKMT2ACYP2C19MEN1CYP3A4
SCHEMBL20249276 0.80 AOC3 (0.37) NOTUMMLYCDGPBAR1CCR9
SCHEMBL7733716 0.78 NOTUM (0.52) NOTUMMLYCDKMT2ACYP2C19MEN1
SCHEMBL19104074 0.76 ALDH1A1 (0.42) MLYCDKMT2AMEN1CYP3A4SMN1; SMN2
SCHEMBL16446650 0.73 KMT2A (0.38) NOTUMKMT2ACYP2C19MEN1CYP3A4
SCHEMBL20249216 0.73 PDK2 (0.40) KMT2AMEN1GPBAR1
SCHEMBL31222337 0.69 NOTUM (0.49) NOTUMKMT2ACYP2C19MEN1CYP3A4
SCHEMBL21653748 0.69 NOTUM (0.45) NOTUMKMT2ACYP2C19MEN1CYP3A4
SCHEMBL15539862 0.69 NOTUM (0.49) NOTUMKMT2ACYP2C19MEN1CYP3A4
SCHEMBL15540001 0.69 NOTUM (0.45) NOTUMKMT2ACYP2C19MEN1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9963445-B2 Chemical compounds SYNGENTA LIMITED (GB) 2018-05-08 US disclosed
US-9963445-B2 Chemical compounds SYNGENTA LIMITED (GB) 2018-05-08 US disclosed
US-20160159781-A1 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-06-09 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-20160159781-A1 CHEMICAL COMPOUNDS DDT, CBR3, CYP1B1 NOTUM 553/4885MLYCD 1273/4885KMT2A 1627/4885

“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.