SCHEMBL3097111

SCHEMBL3097111

O=C(OCc1ccc(Cl)c(C(F)(F)F)c1)C(=Cc1ccccc1)C(O)c1cccnc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
NAMPT P43490 2/20 0.38
CNR1 P21554 2/20 0.38
CNR2 P34972 2/20 0.38
IDO1 P14902 2/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
CASR P41180 1/20 0.35
FFAR1 O14842 1/20 0.35
TSHR P16473 1/20 0.35
OPRK1 P41145 1/20 0.34
TBXAS1 P24557 2/20 0.34

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
SCHEMBL13817475 1.00 MAPT (0.39) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL13817466 0.85 FFAR1 (0.43) KMT2ALMNAFFAR1TBXAS1
SCHEMBL3109506 0.85 FFAR1 (0.43) KMT2ALMNAFFAR1TBXAS1
SCHEMBL3101528 0.84 CNR2 (0.43) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL13817522 0.81 ALDH1A1 (0.41) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL3104050 0.81 ALDH1A1 (0.41) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL13817467 0.81 CYP19A1 (0.41) CNR1PPARGFFAR1TBXAS1
SCHEMBL3103154 0.81 CYP19A1 (0.41) CNR1PPARGFFAR1TBXAS1
SCHEMBL13817518 0.80 FFAR1 (0.40) NAMPTFFAR1TBXAS1
SCHEMBL3107992 0.80 FFAR1 (0.40) NAMPTFFAR1TBXAS1

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-20100273649-A1 Fungicidal Mixtures III BASF SE (DE) 2010-10-28 US claimed
EP-2219459-A2 FUNGICIDAL MIXTURES III BASF SE (DE) 2010-08-25 EP claimed
WO-2009063076-A2 FUNGICIDAL MIXTURES III BASF SE (DE) 2009-05-22 WO claimed
US-20100273649-A1 Fungicidal Mixtures III BASF SE (DE) 2010-10-28 US disclosed
EP-2219459-A2 FUNGICIDAL MIXTURES III BASF SE (DE) 2010-08-25 EP disclosed
WO-2009063076-A2 FUNGICIDAL MIXTURES III 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-20100273649-A1 Fungicidal Mixtures III CBR3, CBR1, NOX3 MAPT 4862/4885KMT2A 3860/4885MEN1 1718/4885

“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.