SCHEMBL2851987

SCHEMBL2851987

COc1cc(C(=O)N[C@@H](C)C(C)(C)C)ccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSA P10619 1/20 0.51
KCNK3 O14649 1/20 0.50
KCNK9 Q9NPC2 1/20 0.50
FDPS P14324 1/20 0.47
KMT2A Q03164 3/20 0.45
LMNA P02545 2/20 0.45
MEN1 O00255 2/20 0.45
MAPK1 P28482 1/20 0.45
GRM5 P41594 2/20 0.45
HPGD P15428 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
NR2E1 Q9Y466 1/20 0.41
CCR9 P51686 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
ACACB O00763 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KLKB1 P03952 1/20 0.40

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
SCHEMBL30859586 0.87 CTSA (0.56) CTSAKCNK3KCNK9FDPSKMT2A
SCHEMBL2798344 0.87 CTSA (0.56) CTSAKCNK3KCNK9FDPSKMT2A
SCHEMBL2862384 0.86 CTSA (0.53) CTSAKCNK3KCNK9FDPSKMT2A
SCHEMBL2859373 0.86 CTSA (0.53) CTSAKCNK3KCNK9FDPSKMT2A
SCHEMBL2861520 0.81 KCNK3 (0.50) CTSAKCNK3KCNK9FDPSKMT2A
SCHEMBL2865570 0.80 PREP (0.48) FDPSKMT2ALMNAMEN1MAPK1
SCHEMBL20812506 0.80 KCNK3 (0.54) CTSAKCNK3KCNK9LMNAKDM4E
SCHEMBL1515813 0.77 KCNK3 (0.58) CTSAKCNK3KCNK9HPGDKDM4E
SCHEMBL31354767 0.77 KCNK3 (0.58) CTSAKCNK3KCNK9HPGDKDM4E
SCHEMBL13570731 0.76 KCNK3 (0.57) CTSAKCNK3KCNK9KDM4EALDH1A1

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 CTSA 505/4885KCNK3 3906/4885KCNK9 2510/4885

“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.