SCHEMBL2872305

SCHEMBL2872305

C[C@H](NC(=O)c1ccnc(N)c1)C1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 3/20 0.52
F11 P03951 2/20 0.52
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 3/20 0.50
HPGD P15428 3/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
CNR2 P34972 2/20 0.49
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
IDO1 P14902 2/20 0.47
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44

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
SCHEMBL2876496 0.96 SMYD3 (0.53) SMYD3F11KDM4EALDH1A1HPGD
SCHEMBL2863465 0.85 TAS1R3 (0.57) SMYD3KDM4EALDH1A1HPGDCYP1A2
SCHEMBL2863472 0.85 TAS1R3 (0.57) KDM4EALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL2860717 0.83 TAS1R3 (0.58) SMYD3KDM4EALDH1A1HPGDCYP1A2
SCHEMBL23575954 0.83 SMYD3 (0.72) SMYD3
SCHEMBL19710288 0.83 SMYD3 (0.72) SMYD3
SCHEMBL2859345 0.82 KCNK3 (0.51) SMYD3KDM4EALDH1A1HPGDCYP1A2
SCHEMBL13323899 0.82 FDPS (0.57) SMYD3KDM4EALDH1A1CYP3A4CYP2D6
SCHEMBL13299381 0.81 KDM4E (0.48) KDM4EALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL2856195 0.81 KDM4E (0.48) KDM4EALDH1A1HPGDCYP1A2CYP3A4

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 SMYD3 495/4885F11 554/4885KDM4E 1201/4885

“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.