SCHEMBL17816219

SCHEMBL17816219

CON(C)C(=O)c1cnc(C(C)(C)C)cc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
GAA P10253 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
MCOLN3 Q8TDD5 1/20 0.39
MLYCD O95822 1/20 0.36
MAPT P10636 3/20 0.36
POLB P06746 3/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
CDK3 Q00526 1/20 0.34
ATF1 P18846 1/20 0.34
NFKB1 P19838 1/20 0.34
ASPH Q12797 1/20 0.33
CFTR P13569 1/20 0.33
LRRK2 Q5S007 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.32
GABRA5 P31644 1/20 0.32

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
SCHEMBL17816217 0.86 KMT2A (0.43) MEN1KMT2AGAANPSR1MCOLN3
SCHEMBL16454316 0.85 MEN1 (0.48) MEN1KMT2AGAANPSR1MCOLN3
SCHEMBL18529458 0.82 MEN1 (0.52) MEN1KMT2AGAANPSR1MCOLN3
SCHEMBL17816212 0.80 NPSR1 (0.44) MEN1KMT2AGAANPSR1MCOLN3
SCHEMBL24117081 0.78 MEN1 (0.42) MEN1KMT2AGAANPSR1MCOLN3
SCHEMBL17808271 0.76 MAPT (0.40) MEN1KMT2AGAANPSR1MAPT
SCHEMBL14889998 0.74 MLYCD (0.37) MEN1KMT2AGAANPSR1MLYCD
SCHEMBL17816209 0.74 MAPT (0.39) MEN1KMT2AGAANPSR1MAPT
SCHEMBL18529450 0.73 MEN1 (0.63) MEN1KMT2AGAANPSR1MCOLN3
SCHEMBL17816208 0.73 POLB (0.41) NPSR1MAPTPOLBASPH

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 MEN1 2767/4885KMT2A 1627/4885GAA 1493/4885

“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.