SCHEMBL2197628

SCHEMBL2197628

O=C(C#Cc1ccccc1Cl)c1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
KMT2A Q03164 4/20 0.48
HPGD P15428 4/20 0.48
LMNA P02545 4/20 0.48
MAPT P10636 2/20 0.48
PLOD2 O00469 1/20 0.46
HSP90AA1 P07900 1/20 0.45
NTSR1 P30989 1/20 0.45
MEN1 O00255 2/20 0.45
KDM4E B2RXH2 2/20 0.45
APP P05067 1/20 0.45
GAA P10253 1/20 0.45
HCAR3 P49019 1/20 0.45
HCAR2 Q8TDS4 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
TP53 P04637 1/20 0.44
F7 P08709 1/20 0.44
F3 P13726 1/20 0.44

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
SCHEMBL31614587 0.82 HSP90AA1 (0.64) ALDH1A1KMT2AMAPTHSP90AA1NTSR1
SCHEMBL9189694 0.82 HSP90AA1 (0.64) ALDH1A1KMT2AMAPTHSP90AA1NTSR1
SCHEMBL10218101 0.78 ALDH1A1 (0.51) ALDH1A1KMT2ALMNAMAPTPLOD2
SCHEMBL3835808 0.74 CYP2A6 (0.49) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL30669250 0.74 CYP2A6 (0.49) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2201051 0.74 PKM (0.51) ALDH1A1KMT2ALMNAMAPTHSP90AA1
SCHEMBL2333740 0.74 ADORA3 (0.43) ALDH1A1KMT2ALMNAMAPTPLOD2
SCHEMBL30056386 0.74 PKM (0.51) ALDH1A1KMT2ALMNAMAPTHSP90AA1
SCHEMBL434347 0.73 KMT2A (0.45) ALDH1A1KMT2APLOD2MEN1APP
SCHEMBL9129738 0.73 VCP (0.56) ALDH1A1KMT2AMAPTPLOD2HSP90AA1

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 ALDH1A1 211/4885KMT2A 1773/4885HPGD 2277/4885
US-20080096843-A1 Substituted Isoxazoles as Fungicides CYP4X1, CYP51A1, CYP3A7 ALDH1A1 191/4885KMT2A 1843/4885HPGD 2504/4885
US-20110251066-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS CYP4Z1, CYP4X1, AGXT ALDH1A1 2298/4885KMT2A 2797/4885HPGD 661/4885
US-20060073971-A1 Substituted isoxazoles as fungicides CYP4X1, CYP51A1, CYP3A7 ALDH1A1 256/4885KMT2A 1903/4885HPGD 2728/4885

“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.