SCHEMBL2199924

SCHEMBL2199924

O=C(c1cccnc1)c1c(Cc2ccc(Cl)cc2Cl)noc1-c1ccccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 2/20 0.40
ALDH1A1 P00352 4/20 0.40
LMNA P02545 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ADORA3 P0DMS8 1/20 0.40
PKM P14618 1/20 0.40
GRM5 P41594 1/20 0.39
RAB9A P51151 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
NPC1 O15118 3/20 0.39
USP2 O75604 1/20 0.39
HPGD P15428 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 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
SCHEMBL2196692 0.82 ADORA3 (0.51) ALDH1A1LMNAKDM4EADORA3PKM
SCHEMBL2196040 0.78 KCNA5 (0.39) LMNARAB9ASMN1; SMN2NPC1RXFP1
SCHEMBL27800933 0.78 ADORA3 (0.46) ALDH1A1LMNAKDM4EADORA3PKM
SCHEMBL3481961 0.69 RAB9A (0.62) CCR9ALDH1A1LMNAKDM4EPKM
SCHEMBL838069 0.69 ALDH1A1 (0.53) ALDH1A1LMNAKDM4EPKMRAB9A
SCHEMBL2196888 0.66 TSHR (0.40) ALDH1A1LMNARAB9ASMN1; SMN2NPC1
SCHEMBL27997536 0.66 L3MBTL1 (0.71) ALDH1A1LMNAKDM4EPKMRAB9A
SCHEMBL28232 0.66 CCR9 (0.58) CCR9ALDH1A1LMNAKDM4EPKM
SCHEMBL14419269 0.66 KCNMA1 (0.60) CCR9ALDH1A1LMNAKDM4EPKM
SCHEMBL2197925 0.65 PPARD (0.46) CCR9ALDH1A1LMNAKDM4EADORA3

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 CCR9 2604/4885ALDH1A1 211/4885LMNA 3242/4885
US-20080096843-A1 Substituted Isoxazoles as Fungicides CYP4X1, CYP51A1, CYP3A7 CCR9 2374/4885ALDH1A1 191/4885LMNA 3361/4885
US-20110251066-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS CYP4Z1, CYP4X1, AGXT CCR9 4756/4885ALDH1A1 2298/4885LMNA 4574/4885
US-20060073971-A1 Substituted isoxazoles as fungicides CYP4X1, CYP51A1, CYP3A7 CCR9 2772/4885ALDH1A1 256/4885LMNA 2740/4885

“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.