SCHEMBL2198574

SCHEMBL2198574

Cc1ccc(-c2onc(-c3cccc(Cl)c3Cl)c2C(O)c2cccnc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 3/20 0.47
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
BRD4 O60885 1/20 0.39
GAA P10253 1/20 0.36
CYP17A1 P05093 1/20 0.36
ALDH1A1 P00352 2/20 0.36
ADORA3 P0DMS8 2/20 0.35
TP53 P04637 2/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
P2RX7 Q99572 2/20 0.34
TRPA1 O75762 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
CYP3A4 P08684 1/20 0.34
PDE10A Q9Y233 1/20 0.34

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
SCHEMBL2198569 0.85 BRD4 (0.40) KCNA5ATMSMN1; SMN2LMNAL3MBTL1
SCHEMBL2195573 0.84 BRD4 (0.42) KCNA5ATMSMN1; SMN2LMNAL3MBTL1
SCHEMBL2224771 0.84 BRD4 (0.42) KCNA5ATMSMN1; SMN2LMNAL3MBTL1
SCHEMBL2198129 0.83 KCNA5 (0.47) KCNA5ATMSMN1; SMN2LMNAL3MBTL1
SCHEMBL2198939 0.82 SMN1; SMN2 (0.47) KCNA5ATMSMN1; SMN2LMNAL3MBTL1
SCHEMBL2199053 0.82 ATM (0.57) KCNA5ATMSMN1; SMN2LMNAL3MBTL1
SCHEMBL12211391 0.81 KCNA5 (0.45) KCNA5ATMSMN1; SMN2LMNAL3MBTL1
SCHEMBL2198411 0.79 KCNA5 (0.45) KCNA5ATMSMN1; SMN2LMNAL3MBTL1
SCHEMBL12424176 0.78 BRD4 (0.43) KCNA5ATMSMN1; SMN2LMNAL3MBTL1
SCHEMBL2198613 0.78 NPC1 (0.41) KCNA5ATMSMN1; 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 2 patents. 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 disclosed
US-20080096843-A1 Substituted Isoxazoles as Fungicides SYNGENTA LIMITED (GB) 2008-04-24 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 (1 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-20080096843-A1 Substituted Isoxazoles as Fungicides CYP4X1, CYP51A1, CYP3A7 KCNA5 760/4885ATM 3589/4885SMN1; SMN2 2387/4885

“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.