SCHEMBL3080052

SCHEMBL3080052

O=C(Oc1cccc(C(F)(F)F)c1)C(C(=O)c1cccnc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
TSHR P16473 3/20 0.50
MEN1 O00255 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
CSF1R P07333 2/20 0.45
TBXAS1 P24557 2/20 0.45
BRAF P15056 1/20 0.45
TBXA2R P21731 1/20 0.45
CYP1A2 P05177 3/20 0.42
CYP2C9 P11712 3/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP2C19 P33261 2/20 0.42
CES2 O00748 1/20 0.42
GAA P10253 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
P2RY1 P47900 1/20 0.41
PPARG P37231 2/20 0.41

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
SCHEMBL6309136 0.84 TSHR (0.44) KMT2ATSHRMEN1RXFP1CSF1R
SCHEMBL3078379 0.84 ALDH1A1 (0.53) KMT2ATSHRMEN1CYP1A2CYP2C9
SCHEMBL3069102 0.81 ALDH1A1 (0.49) KMT2ACYP2C9ALDH1A1CYP2C19GAA
SCHEMBL3079297 0.80 KCNA5 (0.46) KMT2ATSHRMEN1RXFP1TBXAS1
SCHEMBL3062323 0.78 KMT2A (0.60) KMT2ATSHRALDH1A1GAALMNA
SCHEMBL3056684 0.78 KMT2A (0.46) KMT2ATSHRMEN1CYP2C9ALDH1A1
SCHEMBL3071332 0.76 ALDH1A1 (0.48) KMT2ACYP2C9ALDH1A1CYP2C19GAA
SCHEMBL28444437 0.75 ACP3 (0.51) KMT2ATSHRMEN1CYP1A2CYP2C9
SCHEMBL3111260 0.72 KCNA5 (0.44) KMT2ATSHRMEN1CES2PPARG
SCHEMBL3062218 0.71 KMT2A (0.51) KMT2ATSHRMEN1RXFP1TBXAS1

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 KMT2A 1213/4885TSHR 907/4885MEN1 1608/4885
US-20100267555-A1 Fungicidal mixtures II CBR3, CBR1, NOX3 KMT2A 4299/4885TSHR 364/4885MEN1 2476/4885

“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.