SCHEMBL3110409

SCHEMBL3110409

C#CC(C)(CC)NC(=O)C(Oc1cc(C)c2ncc(Br)cc2c1)SC

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL3105629 0.90 AAK1 (0.32) AAK1
SCHEMBL3112128 0.89 HTT (0.33) HTTL3MBTL1POLBMAPTSMN1; SMN2
SCHEMBL158453 0.89 AAK1 (0.32) AAK1
SCHEMBL3114558 0.87 AAK1 (0.35) AAK1
SCHEMBL3109043 0.84 AAK1 (0.33) AAK1
SCHEMBL14860094 0.82
SCHEMBL3106096 0.82 AAK1 (0.33) AAK1
SCHEMBL3108294 0.82 AAK1 (0.30) AAK1
SCHEMBL3110830 0.82 MEN1 (0.30)
SCHEMBL3105595 0.82 AAK1 (0.31) AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2185520-B1 FUNGICIDAL 2-ALKYLTHIO-2-QUINOLINYLOXY-ACETAMIDE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2012-12-26 EP disclosed
US-20100256183-A1 FUNGICIDAL 2-ALKYLTHIO-2-QUINOLINYLOXY-ACETAMIDE DERIVATIVES SYNGENTA CROP PROTECTION, INC. (US) 2010-10-07 US disclosed
EP-2185520-A1 FUNGICIDAL 2-ALKYLTHIO-2-QUINOLINYLOXY-ACETAMIDE DERIVATIVES Sygenta Participations AG. (CH) 2010-05-19 EP disclosed
WO-2009030469-A1 FUNGICIDAL 2-ALKYLTHIO-2-QUINOLINYLOXY-ACETAMIDE DERITVATIVES SYGENTA PARTICIPATIONS AG, (CH) 2009-03-12 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 (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-20100256183-A1 FUNGICIDAL 2-ALKYLTHIO-2-QUINOLINYLOXY-ACETAMIDE DERIVATIVES CYP1A2, AADAC, CYP51A1 HTT 2430/4885L3MBTL1 1127/4885AAK1 2542/4885

“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.