SCHEMBL2452257

SCHEMBL2452257

CCNC1=NS(=O)(=O)c2cccc(F)c21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
HSD17B10 Q99714 3/20 0.37
NPC1 O15118 2/20 0.37
TP53 P04637 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 2/20 0.35
PKM P14618 1/20 0.35
MAPT P10636 2/20 0.34
POLB P06746 1/20 0.34
KDM4E B2RXH2 2/20 0.34
EPAS1 Q99814 2/20 0.33
GAA P10253 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
THRB P10828 1/20 0.32
ALOX15 P16050 1/20 0.32
RECQL P46063 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
SCHEMBL12292150 0.78 RAB9A (0.33) ALDH1A1HSD17B10NPC1TP53RAB9A
SCHEMBL14397239 0.77 ALDH1A1 (0.33) ALDH1A1HSD17B10NPC1TP53RAB9A
SCHEMBL13903718 0.76 HTT (0.43) ALDH1A1HSD17B10NPC1TP53RAB9A
SCHEMBL14397038 0.72 LMNA (0.43) ALDH1A1HSD17B10NPC1TP53RAB9A
SCHEMBL13903716 0.72 KCNA3 (0.38) ALDH1A1HSD17B10NPC1SMN1; SMN2HPGD
SCHEMBL13615347 0.72 HPGD (0.39) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL29118472 0.72 RPS6KA2 (0.46) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL29118467 0.72 ALOX5 (0.46) ALDH1A1HSD17B10TP53SMN1; SMN2MEN1
SCHEMBL29118471 0.71 PTGES (0.55) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL29118494 0.71 ALDH1A1 (0.40) ALDH1A1HSD17B10SMN1; SMN2MEN1KMT2A

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-20140135215-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2014-05-15 US disclosed
US-8629284-B2 Chemical compounds SYNGENTA CROP PROTECTION, LLC (US) 2014-01-14 US disclosed
US-20110218101-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2011-09-08 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 (2 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-20110218101-A1 CHEMICAL COMPOUNDS CBR3, C3AR1, CCNY ALDH1A1 2022/4885HSD17B10 1268/4885NPC1 1098/4885
US-20140135215-A1 CHEMICAL COMPOUNDS CBR3, CCNY, C3AR1 ALDH1A1 2199/4885HSD17B10 1410/4885NPC1 1331/4885

“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.