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SCHEMBL2199854

SCHEMBL2199854

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.44
▸ CYP17A1 P05093 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ LMNA P02545 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CYP3A4 P08684 2/20 0.39
▸ PDE10A Q9Y233 1/20 0.39
▸ KCNA5 P22460 2/20 0.39
▸ KCND3 Q9UK17 1/20 0.39
▸ BRD4 O60885 1/20 0.38
▸ GAA P10253 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ NPY5R Q15761 1/20 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
SCHEMBL2197190 0.96 SMN1; SMN2 (0.47) CYP19A1CYP17A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL2198631 0.94 ATM (0.45) CYP19A1CYP17A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL2197035 0.94 ATM (0.45) CYP19A1CYP17A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL2195573 0.94 BRD4 (0.42) CYP19A1CYP17A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL3115056 0.91 CYP3A4 (0.43) CYP19A1CYP17A1SMN1; SMN2CYP3A4KCNA5
SCHEMBL12211600 0.91 SMN1; SMN2 (0.39) CYP19A1CYP17A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL2197845 0.91 KCNA5 (0.47) CYP19A1CYP17A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL2199166 0.91 KCNA5 (0.50) CYP19A1CYP17A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL12211661 0.90 CYP19A1 (0.39) CYP19A1CYP17A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL2199594 0.90 KCNA5 (0.41) CYP19A1CYP17A1SMN1; SMN2LMNAL3MBTL1

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 38 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-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
US-20060073971-A1 Substituted isoxazoles as fungicides SYNGENTA LIMITED (GB) 2006-04-06 — — US 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 CYP19A1 19/4885CYP17A1 28/4885SMN1; SMN2 2136/4885
US-20100179059-A1 Fungicidal Mixtures ARSA, AADAC, TYR CYP19A1 1523/4885CYP17A1 731/4885SMN1; SMN2 3779/4885
US-20080096843-A1 Substituted Isoxazoles as Fungicides CYP4X1, CYP51A1, CYP3A7 CYP19A1 21/4885CYP17A1 29/4885SMN1; SMN2 2387/4885
US-20110251066-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS CYP4Z1, CYP4X1, AGXT CYP19A1 598/4885CYP17A1 482/4885SMN1; SMN2 4879/4885
US-20060073971-A1 Substituted isoxazoles as fungicides CYP4X1, CYP51A1, CYP3A7 CYP19A1 23/4885CYP17A1 46/4885SMN1; SMN2 2646/4885

“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.