SCHEMBL2856419

SCHEMBL2856419

O=C(NC1CCCCC1)c1ccnc(F)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.67
TAS1R1 Q7RTX1 1/20 0.67
TAS1R2 Q8TE23 1/20 0.67
RAB9A P51151 9/20 0.59
NPC1 O15118 8/20 0.59
HTR2B P41595 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.51
HPGD P15428 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
TP53 P04637 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
MLLT1 Q03111 1/20 0.51
KDM4E B2RXH2 1/20 0.50
GFER P55789 1/20 0.50
HSD17B10 Q99714 1/20 0.50
GRM5 P41594 1/20 0.49

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
SCHEMBL15962658 0.92 TAS1R3 (0.64) TAS1R3TAS1R1TAS1R2RAB9ANPC1
SCHEMBL15962752 0.87 TAS1R3 (0.59) TAS1R3TAS1R1TAS1R2RAB9ANPC1
SCHEMBL15962659 0.86 TAS1R3 (0.64) TAS1R3TAS1R1TAS1R2RAB9ANPC1
SCHEMBL15962710 0.85 TAS1R3 (0.56) TAS1R3TAS1R1TAS1R2
SCHEMBL15955944 0.84 TAS1R3 (0.62) TAS1R3TAS1R1TAS1R2GRM5
SCHEMBL15962652 0.84 TAS1R3 (0.62) TAS1R3TAS1R1TAS1R2GRM5
SCHEMBL9561243 0.84 NPC1 (0.55) RAB9ANPC1SMN1; SMN2HPGDL3MBTL1
SCHEMBL15962721 0.83 TAS1R3 (0.55) TAS1R3TAS1R1TAS1R2RAB9ANPC1
SCHEMBL15955713 0.83 TAS1R3 (0.55) TAS1R3TAS1R1TAS1R2RAB9ANPC1
SCHEMBL19710360 0.82 SMYD3 (0.68) RAB9ANPC1SMN1; SMN2HPGDL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014124988-A1 PYRIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA LIMITED (GB) 2014-08-21 WO disclosed
US-20100137376-A1 AMIDE COMPOUND AND METHOD FOR CONTROLLING PLANT DISEASE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-03 US disclosed
US-20100137376-A1 AMIDE COMPOUND AND METHOD FOR CONTROLLING PLANT DISEASE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-03 US disclosed
US-20100137376-A1 AMIDE COMPOUND AND METHOD FOR CONTROLLING PLANT DISEASE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-03 US disclosed
EP-2174931-A1 AMIDE COMPOUND AND METHOD FOR CONTROLLING PLANT DISEASE USING THE SAME Sumitomo Chemical Company, Limited (JP) 2010-04-14 EP 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-20100137376-A1 AMIDE COMPOUND AND METHOD FOR CONTROLLING PLANT DISEASE USING THE SAME NAAA, NAT1, SAT1 TAS1R3 4053/4885TAS1R1 3002/4885TAS1R2 3382/4885

“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.