SCHEMBL5657600

SCHEMBL5657600

CN1OC(C)(C)C(=O)C(c2cc(Cl)ccc2Cl)C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.38
HTR1A P08908 1/20 0.33
ADRA1B P35368 1/20 0.33
HSD11B1 P28845 1/20 0.32
BACE1 P56817 2/20 0.31
HTT P42858 3/20 0.31
CNR2 P34972 1/20 0.31
ALDH1A1 P00352 3/20 0.31
GAA P10253 2/20 0.31
KDM4E B2RXH2 2/20 0.31
HCAR2 Q8TDS4 1/20 0.31
HPGD P15428 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 1/20 0.31
LMNA P02545 2/20 0.31
TP53 P04637 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
OPRM1 P35372 1/20 0.30
KMT2A Q03164 2/20 0.30

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
SCHEMBL5655999 0.90 PGR (0.38) SLC9A1BACE1ALDH1A1GAAKDM4E
SCHEMBL14587461 0.89 ALDH1A1 (0.41) SLC9A1HTTALDH1A1GAAKDM4E
SCHEMBL5657030 0.74 CES1 (0.30)
SCHEMBL3036687 0.71 PGR (0.43) SLC9A1ALDH1A1GAAKDM4EMAPT
SCHEMBL5231465 0.68 SLC9A1 (0.41) SLC9A1GAACASP1TP53KMT2A
SCHEMBL3035400 0.68 LMNA (0.39) ALDH1A1KDM4ELMNASMN1; SMN2KMT2A
SCHEMBL14587439 0.66 GSK3B (0.40) HTTCNR2ALDH1A1HCAR2HPGD
SCHEMBL5231679 0.63 L3MBTL1 (0.37) SLC9A1HTR1AADRA1BGAACASP1
SCHEMBL25148546 0.63 TSHR (0.41) SLC9A1BACE1ALDH1A1CASP1HSD17B10
SCHEMBL2361880 0.63 KDM4E (0.37) HSD11B1HTTALDH1A1GAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7183238-B2 [1,2]-oxazine-3,5-diones BAYER CROPSCIENCE AG (DE) 2007-02-27 US disclosed
US-20050070707-A1 microbicides, pesticides and herbicides BAYER CROPSCIENCE AG (DE) 2005-03-31 US 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-20050070707-A1 microbicides, pesticides and herbicides DDT, CX3CR1, MSR1 SLC9A1 2417/4885HTR1A 3005/4885ADRA1B 1042/4885

“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.