SCHEMBL1228455

SCHEMBL1228455

Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(NC(=O)c3cccc(Br)c3O)cs2)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
CCR1 P32246 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SPR P35270 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
IRAK4 Q9NWZ3 7/20 0.36
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL1229035 0.92 GAA (0.41) GAACCR1CYP1A2CYP3A4CYP2D6
SCHEMBL1229039 0.91 CCR1 (0.44) GAACCR1CYP1A2CYP3A4CYP2D6
SCHEMBL1227001 0.90 GAA (0.42) GAACCR1CYP1A2CYP3A4CYP2D6
SCHEMBL1227013 0.90 CCR1 (0.46) GAACCR1POLBIRAK4ALDH1A1
SCHEMBL1228543 0.87 CCR1 (0.48) GAACCR1POLBTSHRIRAK4
SCHEMBL1227053 0.86 GAA (0.44) GAACCR1CYP1A2CYP3A4CYP2D6
SCHEMBL8514488 0.86 CCR1 (0.42) GAACCR1CYP1A2CYP3A4CYP2D6
SCHEMBL1228374 0.85 GAA (0.41) GAACCR1CYP1A2CYP3A4CYP2D6
SCHEMBL8513024 0.85 CCR1 (0.42) GAACCR1CYP1A2CYP3A4CYP2D6
SCHEMBL1229148 0.85 GAA (0.48) GAACCR1CYP1A2CYP3A4CYP2D6

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 560/4885CCR1 487/4885CYP1A2 14/4885

“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.