SCHEMBL2856578

SCHEMBL2856578

COc1cc(C(=O)NCC2CCCCC2)ccn1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.58
MMP13 P45452 1/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
POLB P06746 2/20 0.51
HDAC6 Q9UBN7 2/20 0.50
HTT P42858 1/20 0.48
ACACB O00763 1/20 0.48
ACACA Q13085 1/20 0.48
MLYCD O95822 1/20 0.48
HPGD P15428 1/20 0.47
CA2 P00918 1/20 0.47
KIT P10721 1/20 0.47
ROCK2 O75116 1/20 0.47

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
SCHEMBL2856822 0.89 MEN1 (0.55) TDP1MMP13MEN1KMT2APOLB
SCHEMBL2856587 0.84 TDP1 (0.67) TDP1MMP13MEN1KMT2APOLB
SCHEMBL2860730 0.83 MEN1 (0.49) TDP1MMP13MEN1KMT2APOLB
SCHEMBL2858452 0.82 MEN1 (0.51) TDP1MEN1KMT2APOLBHDAC6
SCHEMBL2878777 0.81 KMT2A (0.54) TDP1MMP13MEN1KMT2APOLB
SCHEMBL2876638 0.81 MEN1 (0.56) TDP1MMP13MEN1KMT2APOLB
SCHEMBL2851998 0.81 MAPK14 (0.58) TDP1MEN1KMT2APOLBHDAC6
SCHEMBL2863438 0.81 MEN1 (0.56) TDP1MMP13MEN1KMT2APOLB
SCHEMBL2868684 0.80 MAPK14 (0.61) TDP1MMP13MEN1KMT2APOLB
SCHEMBL13299320 0.80 MEN1 (0.53) TDP1MMP13MEN1KMT2APOLB

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 TDP1 4171/4885MMP13 3106/4885MEN1 1554/4885

“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.