SCHEMBL4199068

SCHEMBL4199068

COc1ccc(CN(Cc2ccc(OC)cc2)c2nc3ccccc3c(NCCCNC(=O)O)c2[N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.54
GSR P00390 4/20 0.45
HPGD P15428 1/20 0.43
BCHE P06276 8/20 0.42
ACHE P22303 8/20 0.42
CHRM1 P11229 4/20 0.42
CHRM2 P08172 1/20 0.41
DRD2 P14416 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
CHRM3 P20309 1/20 0.41
MAOA P21397 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
ADORA2A P29274 1/20 0.41
ADRA1A P35348 1/20 0.41
HRH1 P35367 1/20 0.41
DRD3 P35462 1/20 0.41
HTR2B P41595 1/20 0.41
PDE4D Q08499 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
SCHEMBL4199059 1.00 EGFR (0.54) EGFRGSRHPGDBCHEACHE
SCHEMBL841392 0.90 EGFR (0.49) EGFRGSRBCHEACHECHRM1
SCHEMBL3953943 0.90 EGFR (0.49) EGFRGSRBCHEACHECHRM1
SCHEMBL3167025 0.84 EGFR (0.57) EGFRHPGDKMT2AMAPTPOLB
SCHEMBL4762917 0.77 ALDH1A1 (0.41) KMT2APOLB
SCHEMBL4762924 0.77 ALDH1A1 (0.41) KMT2APOLB
SCHEMBL842362 0.76 GSR (0.42) GSRBCHEACHECHRM1KMT2A
SCHEMBL30947363 0.76 EGFR (0.52) EGFRBCHEKMT2AMAPTPOLB
SCHEMBL30947362 0.76 EGFR (0.52) EGFRBCHEKMT2AMAPTPOLB
SCHEMBL12245270 0.76 EGFR (0.45) EGFRHPGDCHRM1CHRM2DRD2

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-20090023720-A1 2-Amino 1H-Imidazo Ring Systems and Methods 3M INNOVATIVE PROPERTIES COMPANY 2009-01-22 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-20090023720-A1 2-Amino 1H-Imidazo Ring Systems and Methods IL2, IL2RA, IL4I1 EGFR 3500/4885GSR 1411/4885HPGD 437/4885

“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.