SCHEMBL2854387

SCHEMBL2854387

COc1cc(C(=O)NCC2(O)CCCCC2)ccn1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 12/20 0.53
KCNK3 O14649 1/20 0.46
KCNK9 Q9NPC2 1/20 0.46
CTSA P10619 1/20 0.44
GAA P10253 1/20 0.44
ROCK2 O75116 1/20 0.44
LMNA P02545 1/20 0.44
SLC6A5 Q9Y345 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
ALDH1A1 P00352 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
SCHEMBL2879167 0.81 P2RX7 (0.47) P2RX7ROCK2
SCHEMBL13299339 0.81 P2RX7 (0.52) P2RX7ROCK2
SCHEMBL2856578 0.77 TDP1 (0.58) ROCK2
SCHEMBL11817959 0.76 KCNK3 (0.53) KCNK3KCNK9CTSALMNAEGLN1
SCHEMBL13175575 0.76 TP53 (0.51) P2RX7LMNASLC6A5
SCHEMBL29195058 0.75 CTSA (0.53) KCNK3KCNK9CTSAGAAEGLN1
SCHEMBL25244175 0.75 P2RX7 (0.53) P2RX7LMNASLC6A5ALDH1A1
SCHEMBL31384302 0.74 KCNK3 (0.57) KCNK3KCNK9CTSAGAALMNA
SCHEMBL2969846 0.74 KCNK3 (0.57) KCNK3KCNK9CTSAGAALMNA
SCHEMBL3140309 0.73 TP53 (0.54) P2RX7SLC6A5

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 2 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
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 P2RX7 3915/4885KCNK3 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.