SCHEMBL3076926

SCHEMBL3076926

CCC(OC(=O)C(CSc1ncccn1)C(O)c1cccnc1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 4/20 0.43
ALDH1A1 P00352 3/20 0.38
ATM Q13315 2/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
FFAR1 O14842 1/20 0.35
PNMT P11086 1/20 0.35
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
KCNH2 Q12809 1/20 0.34
VNN1 O95497 1/20 0.34
LMNA P02545 1/20 0.34
ROCK2 O75116 1/20 0.34
TP53 P04637 1/20 0.34
HDAC6 Q9UBN7 2/20 0.33

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
SCHEMBL3069847 0.86 KCNA5 (0.38) KCNA5ALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL3069083 0.84 KCNA5 (0.44) KCNA5ALDH1A1ATMGAAMAPT
SCHEMBL3066645 0.77 KCNA5 (0.43) KCNA5ATMMAPTFFAR1VNN1
SCHEMBL6310888 0.74 KCNA5 (0.35) KCNA5ALDH1A1ATMGAAL3MBTL1
SCHEMBL3101745 0.74 KCNA5 (0.41) KCNA5ALDH1A1GAAL3MBTL1KDM4E
SCHEMBL3076912 0.73 FFAR1 (0.43) KCNA5ALDH1A1ATML3MBTL1TDP1
SCHEMBL3074292 0.72 FFAR1 (0.40) KCNA5ALDH1A1GAAL3MBTL1FFAR1
SCHEMBL3067161 0.71 KCNA5 (0.39) KCNA5ALDH1A1GAAL3MBTL1KDM4E
SCHEMBL3061785 0.71 ALDH1A1 (0.43) KCNA5ALDH1A1MAPTTDP1FFAR1
SCHEMBL3078927 0.71 FFAR1 (0.38) KCNA5ALDH1A1MAPTFFAR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267555-A1 Fungicidal mixtures II BASF SE (DE) 2010-10-21 US claimed
EP-2222169-A2 FUNGICIDAL MIXTURES II BASF SE (DE) 2010-09-01 EP claimed
WO-2009063075-A2 FUNGICIDAL MIXTURES II BASF SE (DE) 2009-05-22 WO claimed
US-20100267555-A1 Fungicidal mixtures II BASF SE (DE) 2010-10-21 US disclosed
EP-2222169-A2 FUNGICIDAL MIXTURES II BASF SE (DE) 2010-09-01 EP disclosed
WO-2009063075-A2 FUNGICIDAL MIXTURES II BASF SE (DE) 2009-05-22 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-20100267555-A1 Fungicidal mixtures II CBR3, CBR1, NOX3 KCNA5 605/4885ALDH1A1 764/4885ATM 4790/4885

“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.