SCHEMBL2506006

SCHEMBL2506006

C/C(=N\OC(C)c1ccccc1)c1csc(C2CCN(C(=O)Cn3nc(C(F)(F)F)cc3C)CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.40
GAA P10253 2/20 0.40
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
PPARG P37231 1/20 0.35
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
IRAK4 Q9NWZ3 3/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
SPR P35270 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL2785649 1.00 CCR1 (0.40) CCR1GAAKDM4EPOLBTSHR
SCHEMBL27861915 0.87 KDM4E (0.33) CCR1GAAKDM4EPOLBTSHR
SCHEMBL2598622 0.87 POLB (0.41) CCR1GAAKDM4EPOLBTSHR
SCHEMBL2598621 0.87 POLB (0.41) CCR1GAAKDM4EPOLBTSHR
SCHEMBL14659501 0.86 CCR1 (0.40) CCR1GAAKDM4EPOLBTSHR
SCHEMBL14659500 0.86 CCR1 (0.40) CCR1GAAKDM4EPOLBTSHR
SCHEMBL14659861 0.85 POLB (0.39) CCR1GAAKDM4EPOLBTSHR
SCHEMBL14659860 0.85 POLB (0.39) CCR1GAAKDM4EPOLBTSHR
SCHEMBL27861916 0.85 KDM4E (0.31) CCR1GAAKDM4EPOLBTSHR
SCHEMBL2598635 0.84 GAA (0.47) CCR1GAAKDM4EPOLBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376487-B1 THIAZOLYL OXIME ETHER AND HYDRAZONES AS PLANT PROTECTION AGENT BAYER IP GMBH (DE) 2016-01-06 EP disclosed
US-9215875-B2 Thiazolyl oxime ethers and hydrazones as crop protection agents BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-22 US disclosed
US-20140296289-A1 Thiazolyl Oxime Ethers and Hydrazones as Crop Protection Agents BAYER CROPSCIENCE AG (DE) 2014-10-02 US disclosed
US-8697878-B2 Thiazolyl oxime ethers and hydrazones as crop protection agents BAYER CROPSCIENCE AG (DE) 2014-04-15 US disclosed
EP-2376487-A1 THIAZOLYL OXIME ETHER AND HYDRAZONES ASL PLANT PROTECTION AGENT Bayer CropScience AG (DE) 2011-10-19 EP disclosed
US-20100190828-A1 Thiazolyl oxime ethers and hydrazones as crop protection agents BAYER CROPSCIENCE AG (DE) 2010-07-29 US disclosed
WO-2010066353-A1 THIAZOLYL OXIME ETHER AND HYDRAZONES ASL PLANT PROTECTION AGENT BAYER CROPSCIENCE AG (DE) 2010-06-17 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-20140296289-A1 Thiazolyl Oxime Ethers and Hydrazones as Crop Protection Agents OXSR1, FOXO1, HAX1 CCR1 3055/4885GAA 1697/4885KDM4E 915/4885
US-20100190828-A1 Thiazolyl oxime ethers and hydrazones as crop protection agents OXSR1, FOXO1, HAX1 CCR1 3055/4885GAA 1697/4885KDM4E 915/4885

“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.