SCHEMBL2198689

SCHEMBL2198689

OC(c1cccnc1)c1c(-c2ccc(Cl)cc2Cl)noc1COc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.38
KCNA5 P22460 6/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
LMNA P02545 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
PKM P14618 1/20 0.36
CYP2C19 P33261 1/20 0.36
TSHR P16473 2/20 0.35
MAPK1 P28482 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NR1H4 Q96RI1 1/20 0.35

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
SCHEMBL2197465 0.87 TDP1 (0.44) L3MBTL1SMN1; SMN2RAB9ANPC1LMNA
SCHEMBL2198403 0.86 NR1H4 (0.44) L3MBTL1NPSR1ALDH1A1SMN1; SMN2KCNA5
SCHEMBL2199772 0.86 SMN1; SMN2 (0.40) L3MBTL1NPSR1SMN1; SMN2KCNA5RAB9A
SCHEMBL2198006 0.84 MAPT (0.45) L3MBTL1SMN1; SMN2KCNA5RAB9ARXFP1
SCHEMBL2197459 0.83 SMN1; SMN2 (0.45) L3MBTL1NPSR1ALDH1A1SMN1; SMN2KCNA5
SCHEMBL2198684 0.82 ADRB3 (0.41) L3MBTL1ALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL2259742 0.82 MAPT (0.43) L3MBTL1SMN1; SMN2KCNA5RAB9ALMNA
SCHEMBL13267852 0.81 LMNA (0.41) L3MBTL1SMN1; SMN2KCNA5RAB9ANPC1
SCHEMBL2194938 0.81 SMN1; SMN2 (0.42) L3MBTL1NPSR1ALDH1A1SMN1; SMN2KCNA5
SCHEMBL2197781 0.79 KCNA5 (0.45) L3MBTL1NPSR1ALDH1A1SMN1; SMN2KCNA5

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 30 patents — showing the first 20. 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-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
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-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-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-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 L3MBTL1 4123/4885NPSR1 3736/4885ALDH1A1 211/4885
US-20080096843-A1 Substituted Isoxazoles as Fungicides CYP4X1, CYP51A1, CYP3A7 L3MBTL1 4110/4885NPSR1 3445/4885ALDH1A1 191/4885
US-20110251066-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS CYP4Z1, CYP4X1, AGXT L3MBTL1 4082/4885NPSR1 2960/4885ALDH1A1 2298/4885
US-20060073971-A1 Substituted isoxazoles as fungicides CYP4X1, CYP51A1, CYP3A7 L3MBTL1 4390/4885NPSR1 3600/4885ALDH1A1 256/4885

“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.