SCHEMBL2598635

SCHEMBL2598635

C/C(=N\O)c1csc(C2CCN(C(=O)Cn3nc(C(F)(F)F)cc3C)CC2)n1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
CCR1 P32246 1/20 0.43
LMNA P02545 3/20 0.38
TP53 P04637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 2/20 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
HPGD P15428 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
SCHEMBL2598636 1.00 GAA (0.47) GAACCR1LMNATP53L3MBTL1
SCHEMBL2509441 0.91 GAA (0.50) GAACCR1LMNATP53L3MBTL1
SCHEMBL15921575 0.90 GAA (0.46) GAACCR1LMNATP53L3MBTL1
SCHEMBL15921573 0.90 GAA (0.46) GAACCR1LMNATP53L3MBTL1
SCHEMBL2511875 0.90 GAA (0.49) GAACCR1LMNATP53L3MBTL1
SCHEMBL2784279 0.90 GAA (0.49) GAACCR1LMNATP53L3MBTL1
SCHEMBL12186082 0.89 GAA (0.48) GAACCR1LMNATP53L3MBTL1
SCHEMBL121172 0.89 GAA (0.50) GAACCR1LMNATP53L3MBTL1
SCHEMBL8512452 0.88 GAA (0.49) GAACCR1LMNATP53L3MBTL1
SCHEMBL2580001 0.88 GAA (0.49) GAACCR1LMNATP53L3MBTL1

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 1632/4885LMNA 3940/4885

“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.