SCHEMBL2197732

SCHEMBL2197732

Cc1ccc(-c2onc(-c3cc4c(F)c(F)c3OCO4)c2C(O)c2cccnc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.32
CYP17A1 P05093 1/20 0.32
ATM Q13315 2/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 2/20 0.30
TP53 P04637 2/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ESR1 P03372 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL2226643 0.86 KCNA5 (0.42) BRD4SMN1; SMN2L3MBTL1LMNAGAA
SCHEMBL12424176 0.79 BRD4 (0.43) BRD4SMN1; SMN2L3MBTL1LMNAGAA
SCHEMBL2198939 0.76 SMN1; SMN2 (0.47) BRD4SMN1; SMN2L3MBTL1LMNAGAA
SCHEMBL2198569 0.75 BRD4 (0.40) BRD4SMN1; SMN2L3MBTL1LMNAGAA
SCHEMBL2195573 0.74 BRD4 (0.42) BRD4SMN1; SMN2L3MBTL1LMNAGAA
SCHEMBL2198574 0.74 KCNA5 (0.47) BRD4SMN1; SMN2L3MBTL1LMNAGAA
SCHEMBL12211362 0.74 BRD4 (0.39) BRD4SMN1; SMN2L3MBTL1LMNAGAA
SCHEMBL2224771 0.74 BRD4 (0.42) BRD4SMN1; SMN2L3MBTL1LMNAGAA
SCHEMBL2197734 0.73 BRD4 (0.40) BRD4SMN1; SMN2L3MBTL1LMNAGAA
SCHEMBL2198590 0.73 KCNA5 (0.51) BRD4SMN1; SMN2L3MBTL1LMNAGAA

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-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-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-20100179059-A1 Fungicidal Mixtures BASF SE (DE) 2010-07-15 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-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 (5 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 BRD4 3927/4885SMN1; SMN2 2136/4885L3MBTL1 4123/4885
US-20100179059-A1 Fungicidal Mixtures ARSA, AADAC, TYR BRD4 1854/4885SMN1; SMN2 3779/4885L3MBTL1 211/4885
US-20080096843-A1 Substituted Isoxazoles as Fungicides CYP4X1, CYP51A1, CYP3A7 BRD4 3717/4885SMN1; SMN2 2387/4885L3MBTL1 4110/4885
US-20110251066-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS CYP4Z1, CYP4X1, AGXT BRD4 681/4885SMN1; SMN2 4879/4885L3MBTL1 4082/4885
US-20060073971-A1 Substituted isoxazoles as fungicides CYP4X1, CYP51A1, CYP3A7 BRD4 4277/4885SMN1; SMN2 2646/4885L3MBTL1 4390/4885

“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.