SCHEMBL2813273

SCHEMBL2813273

O=C(O)/C(=C/Sc1ccc(F)cc1)c1cccs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALOX5 P09917 2/20 0.41
PTGS2 P35354 2/20 0.41
GAA P10253 2/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
ERCC5 P28715 1/20 0.40
FEN1 P39748 1/20 0.40
HPGDS O60760 1/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPT P10636 4/20 0.39
LMNA P02545 3/20 0.39
HPGD P15428 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL2813275 1.00 DAO (0.43) DAONPC1RAB9ASMN1; SMN2ALOX5
SCHEMBL2808172 0.88 DAO (0.48) DAONPC1RAB9ASMN1; SMN2CES2
SCHEMBL2808173 0.88 DAO (0.48) DAONPC1RAB9ASMN1; SMN2CES2
SCHEMBL2808196 0.83 KMT2A (0.41) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL2808198 0.83 KMT2A (0.41) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL2811520 0.83 NPC1 (0.46) NPC1RAB9ASMN1; SMN2ALOX5PTGS2
SCHEMBL2811519 0.83 NPC1 (0.46) NPC1RAB9ASMN1; SMN2ALOX5PTGS2
SCHEMBL12850784 0.76 NOS1 (0.41) NPC1RAB9ASMN1; SMN2ALOX5PTGS2
SCHEMBL2813030 0.76 NOS1 (0.41) NPC1RAB9ASMN1; SMN2ALOX5PTGS2
SCHEMBL2809899 0.75 MEN1 (0.43) DAOPTGS2CES2CES1KMT2A

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-8278473-B2 Alpha, beta-unsaturated imidate compound and pesticidal composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-02 US disclosed
US-20100240729-A1 ALPHA, BETA-UNSATURATED IMIDATE COMPOUND AND PESTICIDAL COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-23 US disclosed
WO-2009064031-A1 ALPHA, BETA-UNSATURATED IMIDATE COMPOUND AND PESTICIDAL COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-22 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-20100240729-A1 ALPHA, BETA-UNSATURATED IMIDATE COMPOUND AND PESTICIDAL COMPOSITION CONTAINING THE SAME OXER1, CBR1, DEGS1 DAO 549/4885NPC1 3668/4885RAB9A 1842/4885

“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.