SCHEMBL2862667

SCHEMBL2862667

O=C(NCCCC1CCCCC1)c1ccnc(F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.52
TAS1R1 Q7RTX1 1/20 0.52
TAS1R2 Q8TE23 1/20 0.52
MAPK14 Q16539 4/20 0.50
KIT P10721 3/20 0.50
FOLH1 Q04609 1/20 0.48
CXCR4 P61073 1/20 0.47
ITGB3 P05106 2/20 0.45
ITGA2B P08514 2/20 0.45
HPGD P15428 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HDAC6 Q9UBN7 2/20 0.44
LDLR P01130 1/20 0.43
MAPK11 Q15759 3/20 0.43
DDR1 Q08345 2/20 0.43
DDR2 Q16832 2/20 0.43
MAP3K20 Q9NYL2 2/20 0.43
MAP3K2 Q9Y2U5 2/20 0.43
TMEM97 Q5BJF2 1/20 0.43

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
SCHEMBL2868271 0.93 TAS1R3 (0.54) TAS1R3TAS1R1TAS1R2MAPK14KIT
SCHEMBL2863438 0.85 MEN1 (0.56) TAS1R3TAS1R1TAS1R2KITMEN1
SCHEMBL2858442 0.83 TAS1R3 (0.57) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL2857149 0.81 TAS1R3 (0.54) TAS1R3TAS1R1TAS1R2MAPK14MEN1
SCHEMBL10720889 0.80 CXCR4 (0.65) MAPK14KITCXCR4MEN1KMT2A
SCHEMBL2856419 0.78 TAS1R3 (0.67) TAS1R3TAS1R1TAS1R2HPGD
SCHEMBL2863458 0.78 TAS1R3 (0.53) TAS1R3TAS1R1TAS1R2MAPK14MEN1
SCHEMBL22919723 0.77 CXCR4 (0.61) MAPK14KITCXCR4MEN1KMT2A
SCHEMBL8393231 0.76 SMN1; SMN2 (0.64) MAPK14KITCXCR4HDAC6MAPK11
SCHEMBL8391413 0.76 SMN1; SMN2 (0.64) MAPK14KITCXCR4HDAC6MAPK11

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
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
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.