SCHEMBL1169656

SCHEMBL1169656

COC(=O)c1cccnc1NC(=O)Cc1ccccc1OC(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK1D P48730 1/20 0.46
▸ NTRK1 P04629 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ HDAC3 O15379 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ BDKRB1 P46663 1/20 0.45
▸ CNR2 P34972 1/20 0.44
▸ HCRTR1 O43613 1/20 0.43
▸ HCRTR2 O43614 1/20 0.43
▸ KDR P35968 1/20 0.42
▸ DHODH Q02127 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPK8 P45983 1/20 0.42
▸ MAPK9 P45984 1/20 0.42
▸ MAPK10 P53779 1/20 0.42

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
SCHEMBL1168830 0.83 HSD17B13 (0.53) CSNK1DALDH1A1HDAC3HDAC1HDAC2
SCHEMBL1169382 0.77 ALDH1A1 (0.54) ALDH1A1HPGDRAB9ACNR2KDM4E
SCHEMBL28000025 0.76 HSD17B13 (0.55) CSNK1DNTRK1ALDH1A1HDAC3HDAC1
SCHEMBL12991853 0.74 BDKRB1 (0.57) ALDH1A1HPGDRAB9ABDKRB1CNR2
SCHEMBL30382576 0.74 NAMPT (0.50) CSNK1DNTRK1HDAC3HDAC1HDAC2
SCHEMBL22560798 0.74 CNR2 (0.53) ALDH1A1HPGDRAB9ABDKRB1CNR2
SCHEMBL1169901 0.73 RECQL (0.54) ALDH1A1HPGDRAB9ACNR2P2RX7
SCHEMBL4520630 0.73 LMNA (0.57) ALDH1A1HPGDRAB9ABDKRB1CNR2
SCHEMBL13329834 0.73 VNN1 (0.49) CSNK1DNTRK1HDAC3HDAC1HDAC2
SCHEMBL30468285 0.72 MAPK8 (0.57) ALDH1A1HPGDKDM4EMAPK8HSD17B13

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8987455-B2 Herbicidal compounds SYNGENTA LIMITED (GB) 2015-03-24 — — US disclosed
US-8557840-B2 Herbicidal compounds SYNGENTA LIMITED (GB) 2013-10-15 — — US disclosed
US-20110034334-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-02-10 — — US disclosed
EP-2254417-A2 HERBICIDAL COMPOUNDS Syngenta Limited (GB) 2010-12-01 — — EP disclosed
WO-2009090401-A2 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2009-07-23 — — WO 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-20110034334-A1 HERBICIDAL COMPOUNDS CYP4Z1, CYP4F3, DDT CSNK1D 2345/4885NTRK1 2222/4885ALDH1A1 119/4885

“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.

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