SCHEMBL16385359

SCHEMBL16385359

O=C(NS(=O)(=O)c1cc(CF)ccc1Cl)c1cn2cc(Br)cnc2n1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
PIK3CD O00329 2/20 0.32
PIK3CA P42336 2/20 0.32
PIK3CB P42338 2/20 0.32
PIK3CG P48736 2/20 0.32
PTGS2 P35354 2/20 0.32
FLT1 P17948 2/20 0.32
FLT4 P35916 2/20 0.32
KDR P35968 2/20 0.32
POLB P06746 2/20 0.31
PTGS1 P23219 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
EGFR P00533 2/20 0.31
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL17788090 0.85 ALKBH2 (0.40) ADORA2AADORA1PIK3CDPIK3CAPIK3CB
SCHEMBL2732971 0.85 ALDH1A1 (0.42) PIK3CDPIK3CAPIK3CBPIK3CGFLT1
SCHEMBL2723233 0.77 ALDH1A1 (0.45) PIK3CDPIK3CAPIK3CBPIK3CGFLT1
SCHEMBL6403237 0.74 PTGS2 (0.52) PTGS2PTGS1EGFR
SCHEMBL16402989 0.68 NPC1 (0.40) PIK3CDPIK3CAPIK3CBPIK3CGTDP1
SCHEMBL16403402 0.68 NPC1 (0.40) PIK3CDPIK3CAPIK3CBPIK3CGTDP1
SCHEMBL2680302 0.67 NPC1 (0.39) PIK3CDPIK3CAPIK3CBPIK3CGTDP1
SCHEMBL15946212 0.66 ALKBH2 (0.41) PTGS2FLT1FLT4KDRPOLB
SCHEMBL3499989 0.64 RXFP1 (0.50) ADORA2AADORA1PTGS2POLBPTGS1
SCHEMBL21317158 0.64 FLT1 (0.41) PTGS2FLT1FLT4KDRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160174558-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-23 US disclosed
WO-2015005499-A1 TETRAZOLINONE COMPOUND AND USE THEREOF 住友化学株式会社 (JP) 2015-01-15 WO 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-20160174558-A1 TETRAZOLINONE COMPOUND AND USE THEREOF MT-CO1, KCNA5, MT-CO2 ADORA2A 3432/4885ADORA1 1586/4885PIK3CD 2943/4885

“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.