SCHEMBL2196242

SCHEMBL2196242

O=C(c1cccnc1)c1c(-c2cc(C(F)(F)F)ccc2F)noc1-c1cccc(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 1/20 0.39
POLB P06746 2/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
CYP19A1 P11511 1/20 0.38
CYP3A4 P08684 2/20 0.38
CYP3A5 P20815 2/20 0.38
EPAS1 Q99814 1/20 0.37
IP6K1 Q92551 1/20 0.37
IP6K3 Q96PC2 1/20 0.37
IP6K2 Q9UHH9 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GPBAR1 Q8TDU6 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
IL2 P60568 1/20 0.37
S1PR1 P21453 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
SCHEMBL2196236 0.79 KCNA5 (0.43) POLBTP53MAPTCYP19A1CYP3A4
SCHEMBL2198999 0.77 SMN1; SMN2 (0.38) MAPTCYP19A1CYP3A4CYP3A5SMN1; SMN2
SCHEMBL2227932 0.70 CYP19A1 (0.41) MEN1KMT2AMAPTCYP19A1CYP3A4
SCHEMBL12211493 0.69 KCNA5 (0.45) MEN1KMT2APOLBTP53MAPT
SCHEMBL2200108 0.69 KCNA5 (0.51) POLBTP53MAPTCYP19A1CYP3A4
SCHEMBL2196692 0.69 ADORA3 (0.51) MEN1KMT2APOLBTP53MAPT
SCHEMBL9002252 0.67 TSHR (0.64) MEN1KMT2ATSHRRXFP1VNN1
SCHEMBL28254180 0.67 CSF1R (0.55) MEN1KMT2ATSHRPOLBCYP19A1
SCHEMBL15646031 0.65 PKM (0.64) MEN1KMT2ACYP3A4SMN1; SMN2NPC1
SCHEMBL27800933 0.65 ADORA3 (0.46) MEN1KMT2ATSHRTP53MAPT

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 MEN1 2071/4885KMT2A 1773/4885TSHR 3322/4885
US-20080096843-A1 Substituted Isoxazoles as Fungicides CYP4X1, CYP51A1, CYP3A7 MEN1 2030/4885KMT2A 1843/4885TSHR 3268/4885
US-20110251066-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS CYP4Z1, CYP4X1, AGXT MEN1 4672/4885KMT2A 2797/4885TSHR 1295/4885
US-20060073971-A1 Substituted isoxazoles as fungicides CYP4X1, CYP51A1, CYP3A7 MEN1 2503/4885KMT2A 1903/4885TSHR 3641/4885

“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.