SCHEMBL973413

SCHEMBL973413

COC(=O)c1cc2cccnc2nc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.45
HTT P42858 1/20 0.45
MAPT P10636 3/20 0.43
MGLL Q99685 1/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 2/20 0.42
MAP2K1 Q02750 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CFTR P13569 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
GAA P10253 2/20 0.41
KMT2A Q03164 1/20 0.39
SLC40A1 Q9NP59 1/20 0.39
SDHB P21912 1/20 0.38

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
SCHEMBL123322 0.86 KDM4E (0.53) HTTMAPTALDH1A1KDM4EHPGD
SCHEMBL30813138 0.86 KDM4E (0.53) HTTMAPTALDH1A1KDM4EHPGD
SCHEMBL13312285 0.85 MGLL (0.44) HTTMGLLALDH1A1KDM4EKMT2A
SCHEMBL3433408 0.84 MGLL (0.43) HTTMGLLALDH1A1KDM4ETDP1
SCHEMBL11909549 0.84 LMNA (0.50) MGLLALDH1A1KDM4ETDP1GAA
SCHEMBL125418 0.83 KDM4E (0.47) ALOX15HTTMAPTMGLLALDH1A1
SCHEMBL2192041 0.82 MGLL (0.40) ALOX15HTTMGLLKDM4EKMT2A
SCHEMBL30440154 0.82 MGLL (0.40) ALOX15HTTMGLLKDM4EKMT2A
SCHEMBL5717652 0.82 PARP1 (0.46) HTTMAPTMGLLKDM4EKMT2A
SCHEMBL123859 0.82 MGLL (0.42) HTTMGLLALDH1A1KDM4EKMT2A

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
CN-102006777-B Herbicidal compounds SYNGENTA LTD 2015-04-01 CN disclosed
US-8461083-B2 Herbicidal compounds SYNGENTA LIMITED (GB) 2013-06-11 US disclosed
CN-102006777-A Herbicidal coumpounds SYNGENTA LTD 2011-04-06 CN disclosed
US-20110021352-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-01-27 US 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-20110021352-A1 HERBICIDAL COMPOUNDS RDX, NQO2, DDT ALOX15 4339/4885HTT 930/4885MAPT 4399/4885

“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.