SCHEMBL3067391

SCHEMBL3067391

COc1ccc(OC(=O)C(c2ccccc2)C(O)c2cccnc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KCNA5 P22460 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.43
RAB9A P51151 1/20 0.42
TBXAS1 P24557 1/20 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
SCHEMBL3068944 0.89 RAB9A (0.45) KMT2AALDH1A1GAATSHRKCNA5
SCHEMBL3071313 0.88 CYP19A1 (0.44) KMT2AALDH1A1KCNA5SMN1; SMN2KDM4E
SCHEMBL3075817 0.80 ALOX15 (0.48) KMT2AALDH1A1NPSR1KCNA5SMN1; SMN2
SCHEMBL3074237 0.78 SMN1; SMN2 (0.43) ALDH1A1KCNA5SMN1; SMN2KDM4ERAB9A
SCHEMBL6310768 0.78 NPY5R (0.49) ALDH1A1KCNA5SMN1; SMN2RAB9A
SCHEMBL3074125 0.78 SMN1; SMN2 (0.43) ALDH1A1KCNA5SMN1; SMN2KDM4ETBXAS1
SCHEMBL3079297 0.77 KCNA5 (0.46) KMT2ATSHRKCNA5TBXAS1
SCHEMBL3062323 0.77 KMT2A (0.60) KMT2AALDH1A1GAATSHRNPSR1
SCHEMBL6505819 0.76 SMN1; SMN2 (0.58) ALDH1A1GAAKCNA5SMN1; SMN2KDM4E
SCHEMBL3075124 0.76 TSHR (0.49) ALDH1A1GAATSHRNPSR1SMN1; SMN2

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 1213/4885ALDH1A1 99/4885GAA 1736/4885
US-20100267555-A1 Fungicidal mixtures II CBR3, CBR1, NOX3 KMT2A 4299/4885ALDH1A1 764/4885GAA 3040/4885

“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.