SCHEMBL2586535

SCHEMBL2586535

CCOC(=O)Cn1nc(C(F)(F)F)cc1CC

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
TSHR P16473 2/20 0.44
TP53 P04637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
POLB P06746 1/20 0.43
PTGS2 P35354 1/20 0.43
TRPM2 O94759 1/20 0.42
MAPK1 P28482 2/20 0.42
CYP2C19 P33261 2/20 0.42
MAPK14 Q16539 1/20 0.42
CYP2C9 P11712 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL14488613 0.88 TP53 (0.46) LMNATSHRTP53L3MBTL1KDM4E
SCHEMBL1834368 0.84 LMNA (0.47) LMNATSHRTP53L3MBTL1KDM4E
SCHEMBL2585488 0.83 TSHR (0.46) LMNATSHRTP53L3MBTL1KDM4E
SCHEMBL3689393 0.83 LMNA (0.46) LMNATSHRTP53L3MBTL1KDM4E
SCHEMBL2586705 0.82 LMNA (0.47) LMNATSHRTP53L3MBTL1KDM4E
SCHEMBL13169933 0.82 LMNA (0.47) LMNATSHRTP53L3MBTL1KDM4E
SCHEMBL12636204 0.82 CYP2C19 (0.46) LMNATSHRTP53L3MBTL1KDM4E
SCHEMBL2575589 0.81 MAPK1 (0.51) TSHRKDM4EHPGDPOLBPTGS2
SCHEMBL23213616 0.79 POLB (0.57) LMNATSHRTP53L3MBTL1KDM4E
SCHEMBL29954795 0.78 CYP2C19 (0.44) LMNATSHRTP53L3MBTL1KDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586611-B2 Fungicidal carboxamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 2013-11-19 US disclosed
EP-1948649-B1 FUNGICIDAL CARBOXAMIDES DU PONT (US) 2013-06-26 EP disclosed
US-20110269712-A1 Fungicidal Carboxamides BISAHA JOHN JOSEPH 2011-11-03 US disclosed
WO-2008091594-A2 FUNGICIDAL MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-31 WO disclosed
EP-1948649-A2 FUNGICIDAL CARBOXAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-30 EP disclosed
WO-2007014290-A2 FUNGICIDAL CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-02-01 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-20110269712-A1 Fungicidal Carboxamides NAT1, PFAS, CHRM1 LMNA 2084/4885TSHR 1597/4885TP53 3715/4885

“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.