SCHEMBL2598613

SCHEMBL2598613

Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(C(=O)CCc3c(F)cccc3F)cs2)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
CCR1 P32246 3/20 0.41
PPARG P37231 1/20 0.38
KDM4E B2RXH2 1/20 0.36
POLB P06746 4/20 0.36
TSHR P16473 1/20 0.36
SPR P35270 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL2598784 0.91 GAA (0.40) GAACCR1PPARGKDM4EPOLB
SCHEMBL14659762 0.91 GAA (0.40) GAACCR1PPARGKDM4EPOLB
SCHEMBL2593635 0.89 POLB (0.44) GAACCR1KDM4EPOLBTSHR
SCHEMBL1765093 0.87 CCR1 (0.42) GAACCR1PPARGKDM4EPOLB
SCHEMBL14796995 0.86 GAA (0.41) GAACCR1PPARGKDM4EPOLB
SCHEMBL27968437 0.85 GAA (0.40) GAACCR1PPARGKDM4EPOLB
SCHEMBL2591405 0.84 GAA (0.42) GAACCR1PPARGKDM4EPOLB
SCHEMBL2598594 0.84 GAA (0.42) GAACCR1PPARGKDM4EPOLB
SCHEMBL1765165 0.84 CCR1 (0.44) GAACCR1PPARGIRAK4ALDH1A1
SCHEMBL121172 0.83 GAA (0.50) GAACCR1KDM4EPOLBTSHR

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-8722678-B2 Fungicidal oximes and hydrazones E I DU PONT DE NEMOURS AND COMPANY (US) 2014-05-13 US disclosed
EP-2571866-A1 FUNGICIDAL OXIMES AND HYDRAZONES E.I. Du Pont De Nemours And Company (US) 2013-03-27 EP disclosed
US-20130030002-A1 FUNGICIDAL OXIMES AND HYDRAZONES E I DUPONT DE NEMOURS AND COMPANY (US) 2013-01-31 US disclosed
WO-2011146182-A1 FUNGICIDAL OXIMES AND HYDRAZONES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-11-24 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-20130030002-A1 FUNGICIDAL OXIMES AND HYDRAZONES NOX1, QSOX1, XDH GAA 329/4885CCR1 1632/4885PPARG 2539/4885

“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.