SCHEMBL4384476

SCHEMBL4384476

N#Cc1cc(CON=C2CCN(CC(=O)Nc3ccc(F)cc3)CC2)ccc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
KDM4E B2RXH2 1/20 0.47
THRB P10828 1/20 0.47
ATM Q13315 2/20 0.44
ALOX15 P16050 1/20 0.44
KMT2A Q03164 4/20 0.43
REV1 Q9UBZ9 1/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 1/20 0.42
DRD4 P21917 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
TSHR P16473 1/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL13589008 0.87 KMT2A (0.42) ALDH1A1KDM4EKMT2ASMN1; SMN2MAPT
SCHEMBL4382741 0.82 DPP4 (0.36) ALDH1A1KDM4EALOX15LMNASMN1; SMN2
SCHEMBL4385524 0.80 POLB (0.42) ALDH1A1KMT2ASMN1; SMN2MAPTMEN1
SCHEMBL4387304 0.80 P2RY12 (0.46) ALDH1A1KMT2ALMNASMN1; SMN2TSHR
SCHEMBL4381786 0.79 DPP4 (0.39) ALDH1A1ALOX15KMT2ASMN1; SMN2TSHR
SCHEMBL4382790 0.79 PTGDR2 (0.42) KMT2ADRD4
SCHEMBL4565833 0.78 P2RY12 (0.36) KMT2AMEN1
SCHEMBL4384414 0.78 S1PR3 (0.36)
SCHEMBL4382701 0.77 PKM (0.47) ALDH1A1KDM4EKMT2ALMNAHTT
SCHEMBL4376868 0.77 DPP4 (0.36) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 US disclosed
US-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 US disclosed
US-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 US disclosed
WO-2008008398-A2 OXIME COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2008-01-17 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 (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-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF KCNN4, CACNA1A, KCNN3 ALDH1A1 2105/4885KDM4E 560/4885THRB 1517/4885

“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.