SCHEMBL13568636

SCHEMBL13568636

CCCCCCCCCc1c(COC)nc2ncnn2c1N

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MBOAT4 Q96T53 18/20 0.41
▸ ATM Q13315 1/20 0.38

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
SCHEMBL302518 1.00 GAA (0.42) GAAHTTSMN1; SMN2MBOAT4ATM
SCHEMBL17646445 0.91 MBOAT4 (0.44) MBOAT4
SCHEMBL3130141 0.87 GAA (0.45) GAAHTTSMN1; SMN2MBOAT4ATM
SCHEMBL3122488 0.87 GAA (0.45) GAAHTTSMN1; SMN2MBOAT4ATM
SCHEMBL303749 0.87 GAA (0.45) GAAHTTSMN1; SMN2MBOAT4ATM
SCHEMBL3135629 0.87 GAA (0.45) GAAHTTSMN1; SMN2MBOAT4ATM
SCHEMBL3132086 0.87 GAA (0.45) GAAHTTSMN1; SMN2MBOAT4ATM
SCHEMBL3125386 0.87 GAA (0.45) GAAHTTSMN1; SMN2MBOAT4ATM
SCHEMBL174682 0.87 GAA (0.45) GAAHTTSMN1; SMN2MBOAT4ATM
SCHEMBL3121971 0.87 GAA (0.45) GAAHTTSMN1; SMN2MBOAT4ATM

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009146079-A2 COMPOSITIONS AND METHODS TO CONTROL OOMYCETE FUNGAL PATHOGENS DOW AGROSCIENCES LLC (US) 2009-12-03 — — WO disclosed
US-20090246293-A1 COMPOSITIONS AND METHODS TO CONTROL OOMYCETE FUNGAL PATHOGENS DOW AGROSCIENCES LLC (US) 2009-10-01 — — US disclosed
US-20090246293-A1 COMPOSITIONS AND METHODS TO CONTROL OOMYCETE FUNGAL PATHOGENS DOW AGROSCIENCES LLC (US) 2009-10-01 — — 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-20090246293-A1 COMPOSITIONS AND METHODS TO CONTROL OOMYCETE FUNGAL PATHOGENS ERG28, DPM1, CYP51A1 GAA 213/4885HTT 3031/4885SMN1; SMN2 3919/4885

“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.

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