Sugi Predict

Sugi Predict / Compounds / SCHEMBL2197035

SCHEMBL2197035

SCHEMBL2197035

OC(c1cccnc1)c1c(-c2ccc(Cl)cc2)noc1-c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 2/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ CYP19A1 P11511 1/20 0.40
▸ CYP17A1 P05093 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ LMNA P02545 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ KCNA5 P22460 2/20 0.38
▸ KCND3 Q9UK17 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.36
▸ GPBAR1 Q8TDU6 1/20 0.36
▸ PTGDR2 Q9Y5Y4 2/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ BRD4 O60885 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HTT P42858 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
SCHEMBL2198631 1.00 ATM (0.45) ATMKMT2ACYP19A1CYP17A1SMN1; SMN2
SCHEMBL2196056 0.94 ATM (0.49) ATMKMT2ACYP17A1SMN1; SMN2LMNA
SCHEMBL2199854 0.94 CYP19A1 (0.44) ATMKMT2ACYP19A1CYP17A1SMN1; SMN2
SCHEMBL2199594 0.91 KCNA5 (0.41) ATMKMT2ACYP19A1CYP17A1SMN1; SMN2
SCHEMBL2197672 0.91 KCNA5 (0.39) ATMKMT2ACYP19A1CYP17A1SMN1; SMN2
SCHEMBL2197190 0.91 SMN1; SMN2 (0.47) ATMKMT2ACYP19A1CYP17A1SMN1; SMN2
SCHEMBL2195573 0.89 BRD4 (0.42) ATMKMT2ACYP19A1CYP17A1SMN1; SMN2
SCHEMBL3115056 0.88 CYP3A4 (0.43) KMT2ACYP19A1CYP17A1SMN1; SMN2KCNA5
SCHEMBL2200038 0.88 CYP19A1 (0.40) ATMKMT2ACYP19A1CYP17A1SMN1; SMN2
SCHEMBL2200424 0.88 ATM (0.44) ATMKMT2ACYP19A1CYP17A1SMN1; SMN2

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977341-B2 For crops; 3-(2,6-Dichlorophenyl)-4-[(3-pyridyl)hydroxymethyl]-5-trimethylsilylisoxazole for example SYNGENTA LIMITED (GB) 2011-07-12 — — US claimed
US-20100179059-A1 Fungicidal Mixtures BASF SE (DE) 2010-07-15 — — US claimed
EP-2170071-A2 FUNGICIDAL MIXTURES BASF SE (DE) 2010-04-07 — — EP claimed
WO-2008148859-A2 FUNGICIDAL MIXTURES BASF SE (DE) 2008-12-11 — — WO claimed
US-20080167350-A1 SUBSTITUTED ISOXAZOLES AS FUNGICIDES SYNGENTA LIMITED (GB) 2008-07-10 — — US claimed
US-20080096843-A1 Substituted Isoxazoles as Fungicides SYNGENTA LIMITED (GB) 2008-04-24 — — US claimed
US-7338967-B2 Substituted isoxazoles as fungicides SYNGENTA LIMITED (GB) 2008-03-04 — — US claimed
EP-1794167-A1 SUBSTITUTED ISOXAZOLES AS FUNGICIDES Syngenta Limited (GB) 2007-06-13 — — EP claimed
US-20060073971-A1 Substituted isoxazoles as fungicides SYNGENTA LIMITED (GB) 2006-04-06 — — US claimed
WO-2006031631-A1 SUBSTITUTED ISOXAZOLES AS FUNGICIDES SYNGENTA LIMITED (GB) 2006-03-23 — — WO claimed
WO-2013011010-A1 FUNGIZIDE MIXTURES SYNGENTA PARTICIPATIONS AG (CH) 2013-01-24 — — WO disclosed
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
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
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 (5 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 ATM 3478/4885KMT2A 1773/4885CYP19A1 19/4885
US-20100179059-A1 Fungicidal Mixtures ARSA, AADAC, TYR ATM 4752/4885KMT2A 2353/4885CYP19A1 1523/4885
US-20080096843-A1 Substituted Isoxazoles as Fungicides CYP4X1, CYP51A1, CYP3A7 ATM 3589/4885KMT2A 1843/4885CYP19A1 21/4885
US-20110251066-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS CYP4Z1, CYP4X1, AGXT ATM 2678/4885KMT2A 2797/4885CYP19A1 598/4885
US-20060073971-A1 Substituted isoxazoles as fungicides CYP4X1, CYP51A1, CYP3A7 ATM 3256/4885KMT2A 1903/4885CYP19A1 23/4885

“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.