SCHEMBL17816223

SCHEMBL17816223

CC(C)(C)NC(=O)c1cnc(C(C)(C)C)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
APEX1 P27695 1/20 0.54
LRRK2 Q5S007 1/20 0.40
NNMT P40261 1/20 0.39
SYK P43405 8/20 0.38
PKM P14618 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
ALPL P05186 2/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37

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
SCHEMBL17816228 0.83 SYK (0.41) POLBAPEX1NNMTSYKCNR1
SCHEMBL16454403 0.83 POLB (0.55) POLBAPEX1LRRK2NNMTSYK
SCHEMBL17816208 0.82 POLB (0.41) POLBAPEX1SYKPKMCNR1
SCHEMBL31697155 0.80 TSHR (0.40) NNMTALDH1A1TSHR
SCHEMBL20639017 0.80 TSHR (0.40) NNMTALDH1A1TSHR
SCHEMBL17816222 0.79 MAPT (0.45) NNMTALDH1A1TSHR
SCHEMBL17808222 0.79 CNR2 (0.38) POLBAPEX1SYKCNR1CNR2
SCHEMBL16647327 0.73 POLB (0.48) POLBAPEX1CNR2
SCHEMBL17648758 0.73 BAZ2B (0.50) ALDH1A1
SCHEMBL22208594 0.72 SCN10A (0.49)

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 POLB 1307/4885APEX1 589/4885LRRK2 2763/4885

“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.