SCHEMBL3294939

SCHEMBL3294939

O=C(Nc1ccc(O)cc1O)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.49
PDK2 Q15119 1/20 0.49
PDK3 Q15120 1/20 0.49
PDK4 Q16654 1/20 0.49
CXCR1 P25024 1/20 0.49
ABCC9 O60706 1/20 0.43
ABCC8 Q09428 1/20 0.43
KCNJ11 Q14654 1/20 0.43
KCNJ8 Q15842 1/20 0.43
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
P2RX1 P51575 1/20 0.40
JAK2 O60674 1/20 0.40

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
SCHEMBL3850312 0.82 CA1 (0.42) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL1139376 0.82 PDK1 (0.51) PDK1PDK2PDK3PDK4POLB
SCHEMBL618106 0.82 PDK1 (0.70) PDK1PDK2PDK3PDK4CA1
SCHEMBL27430704 0.82 TSHR (0.55) PDK1PDK2PDK3PDK4MAPT
SCHEMBL7880575 0.81 PDK1 (0.68) PDK1PDK2PDK3PDK4CA1
SCHEMBL2709623 0.80 PDK1 (0.44) PDK1PDK2PDK3PDK4MAPT
SCHEMBL9824176 0.79 TSHR (0.47) PDK1PDK2PDK3PDK4MAPT
SCHEMBL15998606 0.79 PDK1 (0.43) PDK1PDK2PDK3PDK4CXCR1
SCHEMBL27677695 0.77 KCNMA1 (0.53) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL7299817 0.77 GAA (0.56) PDK1PDK2PDK3PDK4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7741352-B2 KCNQ channel modulating compounds and their pharmaceutical use NEUROSEARCH A/S (DK) 2010-06-22 US disclosed
EP-1620093-B1 PESTICIDAL (DIHALOPROPENYL) PHENYLALKYL SUBSTITUTED BENZOXAZOLE AND BENZOTHIAZOLE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2009-06-24 EP disclosed
EP-1620093-B1 PESTICIDAL (DIHALOPROPENYL) PHENYLALKYL SUBSTITUTED BENZOXAZOLE AND BENZOTHIAZOLE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2009-06-24 EP disclosed
EP-1620093-A4 PESTICIDAL (DIHALOPROPENYL) PHENYLALKYL SUBSTITUTED BENZOXAZOLE AND BENZOTHIAZOLE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2007-10-31 EP disclosed
US-7208450-B2 Pesticidal (dihalopropenyl) phenylalkyl substituted benzoxazole and benzothiazole derivatives BAYER CROPSCIENCE AG (DE) 2007-04-24 US disclosed
US-20060173058-A1 Kcnq channel modulating compounds and their pharmaceutical use NEUROSEARCH A/S (DK) 2006-08-03 US disclosed
WO-2006081165-A1 IMPROVED PROCESS FOR PREPARING (DIHALOPROPENYL)PHENYLAKEYL SUBSTITUTED BENZOXAZOLES BAYER CROPSCIENCE AG (DE) 2006-08-03 WO disclosed
EP-1620093-A2 PESTICIDAL (DIHALOPROPENYL) PHENYLALKYL SUBSTITUTED BENZOXAZOLE AND BENZOTHIAZOLE DERIVATIVES FMC CORPORATION (US) 2006-02-01 EP disclosed
US-20050171356-A1 Pesticidal (dihalopropenyl) phenylalkyl substituted benzoxazole and benzothiazole derivatives FMC CORPORATION 2005-08-04 US disclosed
WO-2004099105-A2 PESTICIDAL (DIHALOPROPENYL) PHENYLALKYL SUBSTITUTED BENZOXAZOLE AND BENZOTHIAZOLE DERIVATIVES FMC CORPORATION (US) 2004-11-18 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 (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-20050171356-A1 Pesticidal (dihalopropenyl) phenylalkyl substituted benzoxazole and benzothiazole derivatives DDT, PDHX, CYP4X1 PDK1 1784/4885PDK2 2062/4885PDK3 1468/4885
US-20060173058-A1 Kcnq channel modulating compounds and their pharmaceutical use KCNQ1, KCNQ2, KCNQ5 PDK1 1118/4885PDK2 1086/4885PDK3 815/4885

“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.