SCHEMBL2586705

SCHEMBL2586705

CCc1cc(C(F)(F)F)nn1CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.47
KDM4E B2RXH2 1/20 0.44
POLB P06746 2/20 0.43
TSHR P16473 2/20 0.43
TP53 P04637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALOX15 P16050 1/20 0.39
GAA P10253 3/20 0.39
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
NPSR1 Q6W5P4 1/20 0.38
HPGD P15428 1/20 0.37
ALDH1A1 P00352 2/20 0.37

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
SCHEMBL13169933 0.88 LMNA (0.47) LMNAKDM4EPOLBTSHRTP53
SCHEMBL14487281 0.84 GAA (0.43) LMNAKDM4EPOLBTSHRTP53
SCHEMBL14487283 0.84 TP53 (0.47) LMNAKDM4EPOLBTSHRTP53
SCHEMBL2586535 0.82 LMNA (0.46) LMNAKDM4EPOLBTSHRTP53
SCHEMBL30417 0.81 LMNA (0.63) LMNAKDM4EPOLBTSHRTP53
SCHEMBL15875445 0.81 KDM4E (0.39) LMNAKDM4EPOLBTSHRTP53
SCHEMBL12871860 0.80 MPO (0.45) LMNAKDM4EPOLBTSHRTP53
SCHEMBL1120057 0.79 KDM4E (0.44) LMNAKDM4EPOLBTSHRTP53
SCHEMBL2587727 0.78 LMNA (0.49) LMNAL3MBTL1ALOX15GAAALDH1A1
SCHEMBL1878695 0.78 KDM4E (0.44) LMNAKDM4EPOLBTSHRTP53

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 8 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
CN-101228156-B Fungicidal carboxamides DU PONT 2012-07-18 CN 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
CN-101228156-A Fungicidal carboxamides DU PONT (US) 2008-07-23 CN 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 2084/4885KDM4E 1416/4885POLB 3820/4885

“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.