SCHEMBL1228580

SCHEMBL1228580

Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(NS(=O)(=O)c3ccccc3)cs2)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
POLB P06746 2/20 0.43
TSHR P16473 1/20 0.43
CCR1 P32246 2/20 0.42
KDM4E B2RXH2 1/20 0.42
IRAK4 Q9NWZ3 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
WNT3 P56703 3/20 0.38
SFRP1 Q8N474 3/20 0.38
LMNA P02545 2/20 0.38
KMT2A Q03164 1/20 0.37

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
SCHEMBL9105865 0.91 POLB (0.45) GAAPOLBTSHRCCR1KDM4E
SCHEMBL1229148 0.87 GAA (0.48) GAAPOLBTSHRCCR1KDM4E
SCHEMBL1227053 0.87 GAA (0.44) GAAPOLBTSHRCCR1KDM4E
SCHEMBL1227005 0.86 GAA (0.43) GAAPOLBTSHRCCR1KDM4E
SCHEMBL1228502 0.86 KMT2A (0.43) GAAPOLBCCR1KDM4ELMNA
SCHEMBL1228685 0.84 GAA (0.42) GAAPOLBTSHRCCR1KDM4E
SCHEMBL1227001 0.83 GAA (0.42) GAAPOLBTSHRCCR1KDM4E
SCHEMBL2599385 0.83 GAA (0.46) GAAPOLBTSHRCCR1KDM4E
SCHEMBL1228467 0.83 CCR1 (0.40) GAAPOLBTSHRCCR1KDM4E
SCHEMBL121172 0.82 GAA (0.50) GAAPOLBTSHRCCR1KDM4E

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 5 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
CN-102596943-A Microbiocidal heterocycles SYNGENTA PARTICIPATIONS AG 2012-07-18 CN 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 GAA 560/4885POLB 1948/4885TSHR 3895/4885

“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.