SCHEMBL3076925

SCHEMBL3076925

O=C(OCc1cccc(C(F)(F)F)c1)C(Cn1cc(Br)cn1)C(O)c1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FFAR1 O14842 1/20 0.39
KCNA5 P22460 2/20 0.38
PRKCA P17252 1/20 0.38
PRKCD Q05655 1/20 0.38
EGLN1 Q9GZT9 1/20 0.36
MMP1 P03956 1/20 0.36
MMP12 P39900 1/20 0.36
AOC3 Q16853 2/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
VNN1 O95497 1/20 0.35

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
SCHEMBL3071472 0.93 FFAR1 (0.41) MEN1KMT2AFFAR1KCNA5PRKCA
SCHEMBL3072922 0.90 FFAR1 (0.39) FFAR1KCNA5PRKCAPRKCDEGLN1
SCHEMBL6308384 0.84 FFAR1 (0.40) FFAR1KCNA5PRKCAPRKCDMMP1
SCHEMBL3065993 0.82 CYP19A1 (0.41) FFAR1KCNA5PRKCAPRKCDMMP1
SCHEMBL3075533 0.81 FFAR1 (0.46) KMT2AFFAR1KCNA5PRKCAPRKCD
SCHEMBL6309762 0.79 PRKCA (0.46) MEN1MAPTKMT2AFFAR1KCNA5
SCHEMBL3061785 0.78 ALDH1A1 (0.43) MEN1ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL3076912 0.77 FFAR1 (0.43) ALDH1A1KMT2AFFAR1KCNA5PRKCA
SCHEMBL3069083 0.77 KCNA5 (0.44) ALDH1A1MAPTFFAR1KCNA5PRKCA
SCHEMBL3062239 0.77 FFAR1 (0.47) KMT2AFFAR1KCNA5PRKCAPRKCD

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 7 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
US-20050277663-A1 3-Aryl-3-hydroxy-and 3-aryl-3-oxopropionic acid esters as fungicides ATP CAPITAL LP 2005-12-15 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 (2 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-20050277663-A1 3-Aryl-3-hydroxy-and 3-aryl-3-oxopropionic acid esters as fungicides CYP21A2, HAO1, AHR MEN1 1608/4885ALDH1A1 99/4885CYP1A2 18/4885
US-20100267555-A1 Fungicidal mixtures II CBR3, CBR1, NOX3 MEN1 2476/4885ALDH1A1 764/4885CYP1A2 26/4885

“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.