SCHEMBL4171045

SCHEMBL4171045

CCOC(=O)c1cn(N2C(=O)c3ccccc3C2=O)c2ccc(C#CCNC(=O)OC(C)(C)C)cc2c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 2/20 0.40
CRBN Q96SW2 2/20 0.40
PTPN11 Q06124 1/20 0.39
LMNA P02545 2/20 0.38
ADRA2A P08913 1/20 0.34
DRD5 P21918 1/20 0.34
DRD3 P35462 1/20 0.34
P2RY6 Q15077 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
P2RX3 P56373 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
GAPDH P04406 1/20 0.33
MAPT P10636 3/20 0.33
ALDH1A1 P00352 3/20 0.33
KMT2A Q03164 2/20 0.33
PIM1 P11309 1/20 0.33
IRAK1 P51617 1/20 0.33
CAMK2B Q13554 1/20 0.33
CAMK2G Q13555 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
SCHEMBL3974096 0.84 LMNA (0.56) DDB1CRBNPTPN11LMNAADRA2A
SCHEMBL4179988 0.83 PTPN11 (0.42) DDB1CRBNPTPN11LMNAADRA2A
SCHEMBL5430748 0.81 DDB1 (0.41) DDB1CRBNPTPN11LMNAADRA2A
SCHEMBL4183636 0.76 LMNA (0.47) LMNATDP1P2RX3GAPDHMAPT
SCHEMBL4164845 0.75 GABRA1 (0.55) DDB1CRBNPTPN11ALDH1A1KMT2A
SCHEMBL3815499 0.74 LMNA (0.50) DDB1CRBNLMNATDP1MAPT
SCHEMBL3291116 0.73 LMNA (0.37) DDB1CRBNPTPN11LMNAPTGS2
SCHEMBL3978768 0.72 LMNA (0.41) DDB1CRBNPTPN11LMNATDP1
SCHEMBL5442448 0.72 DDB1 (0.42) DDB1CRBNPTPN11LMNAADRA2A
SCHEMBL3288890 0.71 PTPN11 (0.47) DDB1CRBNPTPN11LMNAADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062218-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-03-05 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-20090062218-A1 MACROLONE COMPOUNDS CYP51A1, MRPL21, MYD88 DDB1 3765/4885CRBN 3533/4885PTPN11 2201/4885

“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.