SCHEMBL774497

SCHEMBL774497

Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(C(=O)N(C)C3CCC(=O)c4ccccc43)cs2)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CCR1 P32246 1/20 0.37
SPR P35270 2/20 0.35
POLB P06746 2/20 0.34
TSHR P16473 1/20 0.34
CXCR3 P49682 1/20 0.33
KCNH2 Q12809 1/20 0.33
IRAK4 Q9NWZ3 2/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
PPARG P37231 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL775325 0.91 GAA (0.40) GAAKDM4ECCR1SPRPOLB
SCHEMBL29419093 0.88 GAA (0.40) GAAKDM4ECCR1SPRPOLB
SCHEMBL29419132 0.88 GAA (0.40) GAAKDM4ECCR1SPRPOLB
SCHEMBL122901 0.88 GAA (0.40) GAAKDM4ECCR1SPRPOLB
SCHEMBL169067 0.88 GAA (0.40) GAAKDM4ECCR1SPRPOLB
SCHEMBL29419078 0.88 GAA (0.40) GAAKDM4ECCR1SPRPOLB
SCHEMBL231822 0.88 GAA (0.40) GAAKDM4ECCR1SPRPOLB
SCHEMBL777485 0.88 GAA (0.40) GAAKDM4ECCR1SPRPOLB
SCHEMBL776258 0.88 GAA (0.40) GAAKDM4ECCR1SPRPOLB
SCHEMBL15049770 0.84 GAA (0.40) GAAKDM4ECCR1SPRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1948649-B1 FUNGICIDAL CARBOXAMIDES DU PONT (US) 2013-06-26 EP claimed
EP-2437604-A2 SYNERGISTIC FUNGICIDAL MIXTURES BASF SE (DE) 2012-04-11 EP claimed
US-20120070421-A1 Synergistic Fungicidal Mixtures BASF SE (DE) 2012-03-22 US claimed
US-20110269712-A1 Fungicidal Carboxamides BISAHA JOHN JOSEPH 2011-11-03 US claimed
WO-2010139656-A2 SYNERGISTIC FUNGICIDAL MIXTURES BASF SE (DE) 2010-12-09 WO claimed
WO-2008091594-A2 FUNGICIDAL MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-31 WO claimed
EP-1948649-A2 FUNGICIDAL CARBOXAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-30 EP claimed
WO-2007014290-A2 FUNGICIDAL CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-02-01 WO claimed
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
EP-2437604-A2 SYNERGISTIC FUNGICIDAL MIXTURES BASF SE (DE) 2012-04-11 EP disclosed
US-20120070421-A1 Synergistic Fungicidal Mixtures BASF SE (DE) 2012-03-22 US disclosed
US-20110269712-A1 Fungicidal Carboxamides BISAHA JOHN JOSEPH 2011-11-03 US disclosed
WO-2010139656-A2 SYNERGISTIC FUNGICIDAL MIXTURES BASF SE (DE) 2010-12-09 WO 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 (2 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 GAA 421/4885KDM4E 1416/4885CCR1 1540/4885
US-20120070421-A1 Synergistic Fungicidal Mixtures CYP1A2, CYP51A1, CYP3A7 GAA 692/4885KDM4E 2278/4885CCR1 2031/4885

“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.