SCHEMBL2198676

SCHEMBL2198676

OC(c1cccnc1)c1c(-c2ccc(C(F)(F)F)cc2)noc1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
S1PR1 P21453 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.42
ATM Q13315 1/20 0.41
KCNA5 P22460 2/20 0.41
NTRK1 P04629 1/20 0.39
CYP17A1 P05093 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
FFAR1 O14842 1/20 0.38
EPHX2 P34913 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPY5R Q15761 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL3115056 0.92 CYP3A4 (0.43) KMT2AMEN1S1PR1SMN1; SMN2NPC1
SCHEMBL3117221 0.89 KCNA5 (0.54) KMT2AMEN1S1PR1SMN1; SMN2NPC1
SCHEMBL5320134 0.89 MEN1 (0.40) KMT2AMEN1S1PR1SMN1; SMN2NPC1
SCHEMBL12211493 0.88 KCNA5 (0.45) KMT2AMEN1S1PR1SMN1; SMN2NPC1
SCHEMBL2197414 0.86 KCNH2 (0.42) KMT2AMEN1SMN1; SMN2NPC1ATM
SCHEMBL2197190 0.85 SMN1; SMN2 (0.47) KMT2ASMN1; SMN2NPC1ATMKCNA5
SCHEMBL2198939 0.85 SMN1; SMN2 (0.47) KMT2ASMN1; SMN2NPC1ATMKCNA5
SCHEMBL2200466 0.85 KCNA5 (0.56) S1PR1SMN1; SMN2NPC1KCNA5LMNA
SCHEMBL2196056 0.84 ATM (0.49) KMT2ASMN1; SMN2ATMCYP17A1LMNA
SCHEMBL2259252 0.84 KCNA5 (0.48) S1PR1SMN1; SMN2NPC1KCNA5NPSR1

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 11 patents. 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
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-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 (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 KMT2A 1773/4885MEN1 2071/4885S1PR1 3592/4885
US-20080096843-A1 Substituted Isoxazoles as Fungicides CYP4X1, CYP51A1, CYP3A7 KMT2A 1843/4885MEN1 2030/4885S1PR1 3309/4885
US-20110251066-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS CYP4Z1, CYP4X1, AGXT KMT2A 2797/4885MEN1 4672/4885S1PR1 4445/4885
US-20060073971-A1 Substituted isoxazoles as fungicides CYP4X1, CYP51A1, CYP3A7 KMT2A 1903/4885MEN1 2503/4885S1PR1 4441/4885

“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.