SCHEMBL2197925

SCHEMBL2197925

CC(C)(C)c1onc(-c2ccc(Cl)cc2Cl)c1C(=O)c1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.46
RAB9A P51151 3/20 0.45
NPC1 O15118 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
ADORA3 P0DMS8 1/20 0.44
POLB P06746 2/20 0.43
ALDH1A1 P00352 3/20 0.42
LMNA P02545 3/20 0.42
PKM P14618 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ROS1 P08922 1/20 0.41
MAPT P10636 2/20 0.41
CCR9 P51686 1/20 0.41
TGM2 P21980 1/20 0.41
HPGD P15428 1/20 0.41
CA2 P00918 1/20 0.40
CA4 P22748 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
SCHEMBL2196692 0.81 ADORA3 (0.51) PPARDRAB9ANPC1RXFP1ADORA3
SCHEMBL2198693 0.76 NPC1 (0.40) PPARDRAB9ANPC1RXFP1POLB
SCHEMBL19216532 0.71 IDH1 (0.54) PPARDPOLBALDH1A1LMNAKDM4E
SCHEMBL432619 0.71 CCR9 (0.41) RAB9ANPC1RXFP1ADORA3POLB
SCHEMBL3481961 0.70 RAB9A (0.62) RAB9ANPC1POLBALDH1A1LMNA
SCHEMBL9877295 0.67 LMNA (0.57) RAB9ANPC1POLBALDH1A1LMNA
SCHEMBL11519187 0.67 POLB (0.66) PPARDPOLBALDH1A1LMNAKDM4E
SCHEMBL14419269 0.66 KCNMA1 (0.60) RAB9ANPC1POLBALDH1A1LMNA
SCHEMBL28232 0.66 CCR9 (0.58) RAB9ANPC1POLBALDH1A1LMNA
SCHEMBL27800933 0.66 ADORA3 (0.46) RAB9ANPC1ADORA3ALDH1A1LMNA

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 13 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
EP-2369933-A2 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS Syngenta Participations AG (CH) 2011-10-05 EP 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
WO-2010069881-A2 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS SYNGENTA PARTICIPATIONS AG (CH) 2010-06-24 WO 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 PPARD 1273/4885RAB9A 3422/4885NPC1 1816/4885
US-20080096843-A1 Substituted Isoxazoles as Fungicides CYP4X1, CYP51A1, CYP3A7 PPARD 1472/4885RAB9A 3330/4885NPC1 1939/4885
US-20110251066-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS CYP4Z1, CYP4X1, AGXT PPARD 591/4885RAB9A 3584/4885NPC1 4447/4885
US-20060073971-A1 Substituted isoxazoles as fungicides CYP4X1, CYP51A1, CYP3A7 PPARD 1288/4885RAB9A 4147/4885NPC1 2880/4885

“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.