SCHEMBL1229099

SCHEMBL1229099

COc1cccc(O)c1C(=O)Nc1csc(C2CCN(C(=O)Cn3nc(C(F)(F)F)cc3C)CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.46
IRAK4 Q9NWZ3 9/20 0.39
GAA P10253 2/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
FLT3 P36888 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
TP53 P04637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALOX15 P16050 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
SCHEMBL1227013 0.91 CCR1 (0.46) CCR1IRAK4GAAALDH1A1POLB
SCHEMBL1228374 0.91 GAA (0.41) CCR1IRAK4GAAALDH1A1POLB
SCHEMBL1228543 0.89 CCR1 (0.48) CCR1IRAK4GAAALDH1A1POLB
SCHEMBL1227001 0.87 GAA (0.42) CCR1IRAK4GAAALDH1A1POLB
SCHEMBL1227053 0.84 GAA (0.44) CCR1IRAK4GAAALDH1A1POLB
SCHEMBL1229035 0.84 GAA (0.41) CCR1IRAK4GAAALDH1A1POLB
SCHEMBL1229039 0.83 CCR1 (0.44) CCR1IRAK4GAAALDH1A1
SCHEMBL1228455 0.83 GAA (0.41) CCR1IRAK4GAAALDH1A1POLB
SCHEMBL1229148 0.83 GAA (0.48) CCR1GAAALDH1A1POLBTP53
SCHEMBL1227005 0.81 GAA (0.43) CCR1IRAK4GAAALDH1A1POLB

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
US-8557821-B2 Microbiocidal heterocycles SYNGENTA CROP PROTECTION, LLC (US) 2013-10-15 US disclosed
EP-2464643-A1 MICROBIOCIDAL HETEROCYCLES Syngenta Participations AG (CH) 2012-06-20 EP disclosed
US-20120142700-A1 MICROBIOCIDAL HETEROCYCLES SYNGENTA CROP PROTECTION, LLC (US) 2012-06-07 US disclosed
WO-2011018401-A1 MICROBIOCIDAL HETEROCYCLES SYNGENTA PARTICIPATIONS AG (CH) 2011-02-17 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-20120142700-A1 MICROBIOCIDAL HETEROCYCLES MPO, CYP51A1, CYP1A1 CCR1 487/4885IRAK4 3395/4885GAA 560/4885

“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.