SCHEMBL2201559

SCHEMBL2201559

COc1ccccc1-c1onc(-c2ccc(Cl)cc2)c1C(O)c1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
TP53 P04637 4/20 0.39
LMNA P02545 3/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GPBAR1 Q8TDU6 1/20 0.39
GCGR P47871 1/20 0.37
MAPK14 Q16539 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP3A4 P08684 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ATM Q13315 2/20 0.36
KMT2A Q03164 1/20 0.36
CYP19A1 P11511 2/20 0.36

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
SCHEMBL12211657 0.87 SMN1; SMN2 (0.36) LMNASMN1; SMN2L3MBTL1CYP3A4CYP19A1
SCHEMBL2198716 0.87 KCNA5 (0.44) TP53LMNANPC1SMN1; SMN2L3MBTL1
SCHEMBL2199854 0.84 CYP19A1 (0.44) LMNAMAPTNPC1SMN1; SMN2L3MBTL1
SCHEMBL2197190 0.83 SMN1; SMN2 (0.47) LMNANPC1SMN1; SMN2L3MBTL1CYP3A4
SCHEMBL12424111 0.83 SMN1; SMN2 (0.36) LMNAGPBAR1SMN1; SMN2L3MBTL1CYP3A4
SCHEMBL2199880 0.82 CYP3A4 (0.39) LMNAGPBAR1SMN1; SMN2L3MBTL1CYP3A4
SCHEMBL12211608 0.82 CYP19A1 (0.47) LMNAMAPTNPC1SMN1; SMN2L3MBTL1
SCHEMBL2197035 0.81 ATM (0.45) POLBLMNAMAPTTDP1GPBAR1
SCHEMBL2195573 0.81 BRD4 (0.42) TP53LMNAMAPTGPBAR1SMN1; SMN2
SCHEMBL2198631 0.81 ATM (0.45) POLBLMNAMAPTTDP1GPBAR1

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013011010-A1 FUNGIZIDE MIXTURES SYNGENTA PARTICIPATIONS AG (CH) 2013-01-24 WO disclosed
WO-2013007550-A1 FUNGICIDE MIXTURES SYNGENTA PARTICIPATIONS AG (CH) 2013-01-17 WO disclosed
WO-2013007550-A1 FUNGICIDE MIXTURES SYNGENTA PARTICIPATIONS AG (CH) 2013-01-17 WO disclosed
US-20110251066-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS SYNGENTA CROP PROTECTION LLC (US) 2011-10-13 US disclosed
US-20110251066-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS SYNGENTA CROP PROTECTION LLC (US) 2011-10-13 US disclosed
US-20110251066-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS SYNGENTA CROP PROTECTION LLC (US) 2011-10-13 US disclosed
US-7998983-B2 3-(2,6-Dichlorophenyl)-4-[(3-pyridyl)hydroxymethyl]-5-trimethysilylisoxazole; crop protection agents to combat or prevent fungal infestations, or to control other pests such as weeds, insects, or acarids SYNGENTA LIMITED (GB) 2011-08-16 US disclosed
US-7998983-B2 3-(2,6-Dichlorophenyl)-4-[(3-pyridyl)hydroxymethyl]-5-trimethysilylisoxazole; crop protection agents to combat or prevent fungal infestations, or to control other pests such as weeds, insects, or acarids SYNGENTA LIMITED (GB) 2011-08-16 US disclosed
US-7998983-B2 3-(2,6-Dichlorophenyl)-4-[(3-pyridyl)hydroxymethyl]-5-trimethysilylisoxazole; crop protection agents to combat or prevent fungal infestations, or to control other pests such as weeds, insects, or acarids SYNGENTA LIMITED (GB) 2011-08-16 US disclosed
US-7977341-B2 For crops; 3-(2,6-Dichlorophenyl)-4-[(3-pyridyl)hydroxymethyl]-5-trimethylsilylisoxazole for example SYNGENTA LIMITED (GB) 2011-07-12 US disclosed
US-20080167350-A1 SUBSTITUTED ISOXAZOLES AS FUNGICIDES SYNGENTA LIMITED (GB) 2008-07-10 US disclosed
US-20080096843-A1 Substituted Isoxazoles as Fungicides SYNGENTA LIMITED (GB) 2008-04-24 US disclosed
US-20080096843-A1 Substituted Isoxazoles as Fungicides SYNGENTA LIMITED (GB) 2008-04-24 US disclosed
US-20080096843-A1 Substituted Isoxazoles as Fungicides SYNGENTA LIMITED (GB) 2008-04-24 US disclosed
US-7338967-B2 Substituted isoxazoles as fungicides SYNGENTA LIMITED (GB) 2008-03-04 US disclosed
US-7338967-B2 Substituted isoxazoles as fungicides SYNGENTA LIMITED (GB) 2008-03-04 US disclosed
US-7338967-B2 Substituted isoxazoles as fungicides SYNGENTA LIMITED (GB) 2008-03-04 US disclosed
EP-1794167-A1 SUBSTITUTED ISOXAZOLES AS FUNGICIDES Syngenta Limited (GB) 2007-06-13 EP disclosed
US-20060073971-A1 Substituted isoxazoles as fungicides SYNGENTA LIMITED (GB) 2006-04-06 US disclosed
WO-2006031631-A1 SUBSTITUTED ISOXAZOLES AS FUNGICIDES SYNGENTA LIMITED (GB) 2006-03-23 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 (4 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-20080167350-A1 SUBSTITUTED ISOXAZOLES AS FUNGICIDES CYP4X1, CYP51A1, CYP3A7 POLB 4182/4885TP53 4351/4885LMNA 3242/4885
US-20080096843-A1 Substituted Isoxazoles as Fungicides CYP4X1, CYP51A1, CYP3A7 POLB 3767/4885TP53 4452/4885LMNA 3361/4885
US-20110251066-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS CYP4Z1, CYP4X1, AGXT POLB 3711/4885TP53 4733/4885LMNA 4574/4885
US-20060073971-A1 Substituted isoxazoles as fungicides CYP4X1, CYP51A1, CYP3A7 POLB 3243/4885TP53 3359/4885LMNA 2740/4885

“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.