SCHEMBL2860717

SCHEMBL2860717

CC(NC(=O)c1ccnc(F)c1)C1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.58
TAS1R1 Q7RTX1 1/20 0.58
TAS1R2 Q8TE23 1/20 0.58
PREP P48147 1/20 0.55
FAP Q12884 1/20 0.55
MAPK1 P28482 1/20 0.49
IDO1 P14902 6/20 0.48
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
HPGD P15428 3/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CNR2 P34972 2/20 0.47
CHRNA1 P02708 1/20 0.47
CYP2C8 P10632 1/20 0.47
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL2863465 0.99 TAS1R3 (0.57) TAS1R3TAS1R1TAS1R2PREPFAP
SCHEMBL2860724 0.97 PREP (0.55) TAS1R3TAS1R1TAS1R2PREPFAP
SCHEMBL2859970 0.95 PREP (0.55) TAS1R3TAS1R1TAS1R2PREPFAP
SCHEMBL2863472 0.83 TAS1R3 (0.57) TAS1R3TAS1R1TAS1R2PREPFAP
SCHEMBL2872305 0.83 SMYD3 (0.52) MAPK1IDO1KDM4EALDH1A1HPGD
SCHEMBL13702150 0.83 FDPS (0.57) TAS1R3TAS1R1TAS1R2PREPFAP
SCHEMBL2859820 0.82 WDR5 (0.48) TAS1R3TAS1R1KDM4EALDH1A1HPGD
SCHEMBL2876496 0.82 SMYD3 (0.53) PREPIDO1KDM4EALDH1A1HPGD
SCHEMBL2859345 0.81 KCNK3 (0.51) MAPK1IDO1KDM4EALDH1A1HPGD
SCHEMBL13299381 0.80 KDM4E (0.48) MAPK1IDO1KDM4EALDH1A1HPGD

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 4 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

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.