SCHEMBL920533

SCHEMBL920533

FC(F)(F)c1ccc(Oc2c[c]ccc2)nc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.56
KMT2A Q03164 1/20 0.50
THRB P10828 1/20 0.50
MAPT P10636 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
LIPE Q05469 8/20 0.47
BCHE P06276 1/20 0.46
RAB9A P51151 1/20 0.45
POLB P06746 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL921136 0.81 MAPT (0.57) MAPK1KMT2ATHRBMAPTNPSR1
SCHEMBL9507549 0.81 MAPK1 (0.64) MAPK1KMT2ATHRBMAPTNPSR1
SCHEMBL11351938 0.79 MAPT (0.69) MAPK1KMT2ATHRBMAPTNPSR1
SCHEMBL921675 0.78 MAPK14 (0.41) KMT2ATSHRALDH1A1
SCHEMBL3108200 0.77 LIPE (0.41) KMT2AMAPTSMN1; SMN2LIPERAB9A
SCHEMBL10986086 0.76 RAB9A (0.45) MAPK1KMT2AMAPTNPSR1SMN1; SMN2
SCHEMBL920548 0.75 RAB9A (0.63) KMT2AMAPTNPSR1SMN1; SMN2LMNA
SCHEMBL5651111 0.73 MAPK1 (0.67) MAPK1KMT2ATHRBMAPTNPSR1
SCHEMBL20381754 0.73 MAPK1 (0.71) MAPK1KMT2ATHRBMAPTNPSR1
SCHEMBL30334879 0.73 MAPK1 (0.67) MAPK1KMT2ATHRBMAPTNPSR1

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-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-20110201649-A1 AGRICULTURAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-18 US disclosed
EP-2345328-A1 COMPOSITION FOR AGRICULTURAL USE Sumitomo Chemical Company, Limited (JP) 2011-07-20 EP disclosed
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-13 US disclosed
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
CN-1083810-A 4-[2-(4-(2-pyridine oxygen) phenyl) oxyethyl group] quinazoline and analogue thereof DOWELANCO (US) 1994-03-16 CN 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 (3 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 MAPK1 1296/4885KMT2A 3860/4885THRB 2541/4885
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 MAPK1 1392/4885KMT2A 2469/4885THRB 1345/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 MAPK1 2121/4885KMT2A 1924/4885THRB 2399/4885

“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.