SCHEMBL1228685

SCHEMBL1228685

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
CCR1 P32246 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CCNA2 P20248 3/20 0.38
CDK2 P24941 3/20 0.38
CCNA1 P78396 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
IRAK4 Q9NWZ3 1/20 0.36
TRPV1 Q8NER1 4/20 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
SCHEMBL1228467 0.89 CCR1 (0.40) GAAPOLBTSHRCCR1KDM4E
SCHEMBL1229148 0.88 GAA (0.48) GAAPOLBTSHRCCR1KDM4E
SCHEMBL1227053 0.88 GAA (0.44) GAAPOLBTSHRCCR1KDM4E
SCHEMBL1227005 0.87 GAA (0.43) GAAPOLBTSHRCCR1KDM4E
SCHEMBL14880101 0.85 GAA (0.38) GAAPOLBTSHRCCR1KDM4E
SCHEMBL14880139 0.85 CCR1 (0.39) GAAPOLBTSHRCCR1KDM4E
SCHEMBL1228580 0.84 GAA (0.44) GAAPOLBTSHRCCR1KDM4E
SCHEMBL1226982 0.84 KDM4E (0.45) GAAPOLBTSHRCCR1KDM4E
SCHEMBL1227001 0.84 GAA (0.42) GAAPOLBTSHRCCR1KDM4E
SCHEMBL9105865 0.82 POLB (0.45) 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 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 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.