SCHEMBL17816218

SCHEMBL17816218

C#CCNC(=O)c1cnc(C(C)(C)C)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
POLB P06746 1/20 0.40
PDPK1 O15530 1/20 0.38
ESRRG P62508 1/20 0.37
CNR2 P34972 6/20 0.36
ALDH1A1 P00352 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
ALOX15 P16050 1/20 0.35
NR3C1 P04150 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
SCHEMBL16454319 0.85 MAPT (0.46) MAPTPOLBPDPK1CNR2ALDH1A1
SCHEMBL17816208 0.80 POLB (0.41) MAPTPOLBCNR2NPSR1L3MBTL1
SCHEMBL17808268 0.79 LMNA (0.58) MAPTPOLBCNR2L3MBTL1
SCHEMBL31438196 0.75 ALDH1A1 (0.56) MAPTPOLBALDH1A1CA12CA1
SCHEMBL17816233 0.74 CYP1A2 (0.41) MAPTALDH1A1L3MBTL1
SCHEMBL17816217 0.72 KMT2A (0.43) POLBALDH1A1NPSR1
SCHEMBL18529726 0.72 FNTA (0.44) MAPTESRRGCNR2ALDH1A1CA12
SCHEMBL17816212 0.72 NPSR1 (0.44) MAPTPOLBALDH1A1NPSR1L3MBTL1
SCHEMBL30241011 0.72 LMNA (0.60) ALOX15
SCHEMBL19251863 0.71 CA1 (0.56) MAPTALDH1A1L3MBTL1CA12CA1

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 4 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
EP-3030081-B1 PYRAZOLYL PYRROLINONES AND THEIR USE AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2017-08-02 EP 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 MAPT 4454/4885POLB 1307/4885PDPK1 282/4885

“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.