SCHEMBL2591405

SCHEMBL2591405

Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(C(=O)/C=C/c3c(F)cccc3F)cs2)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
CCR1 P32246 1/20 0.40
PPARG P37231 1/20 0.38
KDM4E B2RXH2 1/20 0.36
POLB P06746 2/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 2/20 0.34
SPR P35270 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
IRAK4 Q9NWZ3 3/20 0.34
LMNA P02545 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
SCHEMBL2598594 1.00 GAA (0.42) GAACCR1PPARGKDM4EPOLB
SCHEMBL2599425 0.91 GAA (0.40) GAACCR1PPARGKDM4EPOLB
SCHEMBL2599426 0.91 GAA (0.40) GAACCR1PPARGKDM4EPOLB
SCHEMBL2599422 0.89 CCR1 (0.40) GAACCR1PPARGKDM4EPOLB
SCHEMBL2599423 0.89 CCR1 (0.40) GAACCR1PPARGKDM4EPOLB
SCHEMBL2599432 0.88 CCR1 (0.38) GAACCR1PPARGKDM4EPOLB
SCHEMBL2599430 0.88 CCR1 (0.38) GAACCR1PPARGKDM4EPOLB
SCHEMBL2598706 0.85 GAA (0.47) GAACCR1KDM4EPOLBTSHR
SCHEMBL2598613 0.84 GAA (0.42) GAACCR1PPARGKDM4EPOLB
SCHEMBL1765093 0.83 CCR1 (0.42) GAACCR1PPARGKDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571866-A1 FUNGICIDAL OXIMES AND HYDRAZONES E.I. Du Pont De Nemours And Company (US) 2013-03-27 EP claimed
US-20130030002-A1 FUNGICIDAL OXIMES AND HYDRAZONES E I DUPONT DE NEMOURS AND COMPANY (US) 2013-01-31 US claimed
WO-2011146182-A1 FUNGICIDAL OXIMES AND HYDRAZONES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-11-24 WO claimed
EP-2563786-B1 Ketoheteroarylpiperidine and piperazine derivatives as fungicides BAYER IP GMBH (DE) 2016-11-02 EP disclosed
US-9357779-B2 Ketoheteroarylpiperdine and -piperazine derivatives as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-06-07 US disclosed
US-9220266-B2 Ketoheteroarylpiperidine and -piperazine derivatives as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-29 US disclosed
US-8722678-B2 Fungicidal oximes and hydrazones E I DU PONT DE NEMOURS AND COMPANY (US) 2014-05-13 US disclosed
US-20130274292-A1 Ketoheteroarylpiperdine and -Piperazine Derivatives as Fungicides BAYER CROPSCIENCE AG (DE) 2013-10-17 US disclosed
EP-2571866-A1 FUNGICIDAL OXIMES AND HYDRAZONES E.I. Du Pont De Nemours And Company (US) 2013-03-27 EP disclosed
EP-2563786-A1 KETOHETEROARYLPIPERIDINE AND KETOHETEROARYLPIPERAZINE DERIVATES AS FUNGICIDES Bayer CropScience AG (DE) 2013-03-06 EP disclosed
US-20130030002-A1 FUNGICIDAL OXIMES AND HYDRAZONES E I DUPONT DE NEMOURS AND COMPANY (US) 2013-01-31 US disclosed
US-20110312999-A1 Ketoheteroarylpiperidine and -Piperazine Derivatives as Fungicides BAYER CROPSCIENCE AG (DE) 2011-12-22 US disclosed
WO-2011146182-A1 FUNGICIDAL OXIMES AND HYDRAZONES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-11-24 WO disclosed
WO-2011134969-A1 KETOHETEROARYLPIPERIDINE AND KETOHETEROARYLPIPERAZINE DERIVATES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2011-11-03 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 (3 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
US-20130274292-A1 Ketoheteroarylpiperdine and -Piperazine Derivatives as Fungicides CYP4Z1, CYP51A1, CYP1A1 GAA 234/4885CCR1 939/4885PPARG 600/4885
US-20110312999-A1 Ketoheteroarylpiperidine and -Piperazine Derivatives as Fungicides CYP4Z1, CYP51A1, KCNH1 GAA 209/4885CCR1 1075/4885PPARG 674/4885

“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.