SCHEMBL4995451

SCHEMBL4995451

Fc1ccccc1N1CCN(c2cncc(-c3ccoc3)n2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 3/20 0.50
MAPT P10636 2/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
DRD2 P14416 2/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP1A2 P05177 1/20 0.39
ALOX15 P16050 1/20 0.39
PIM1 P11309 2/20 0.39
PIM3 Q86V86 2/20 0.39

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
SCHEMBL5000833 0.86 CYP11B1 (0.42) SMN1; SMN2LMNAMAPTNFKB1NFKB2
SCHEMBL4996199 0.83 LMNA (0.54) SMN1; SMN2LMNAMAPTNFKB1NFKB2
SCHEMBL4996840 0.83 ALDH1A1 (0.46) SMN1; SMN2LMNAMAPTNFKB1NFKB2
SCHEMBL4992191 0.83 MAPT (0.54) SMN1; SMN2LMNAMAPTNFKB1NFKB2
SCHEMBL4996829 0.81 ALDH1A1 (0.50) SMN1; SMN2LMNAMAPTNPSR1ALDH1A1
SCHEMBL4992184 0.81 MAPT (0.52) SMN1; SMN2LMNAMAPTNFKB1NFKB2
SCHEMBL5003003 0.81 MEN1 (0.46) SMN1; SMN2LMNAMAPTCYP11B1CYP11B2
SCHEMBL4992439 0.80 SMN1; SMN2 (0.51) SMN1; SMN2LMNAMAPTNFKB1NFKB2
SCHEMBL5000701 0.80 LMNA (0.51) SMN1; SMN2LMNAMAPTNFKB1NFKB2
SCHEMBL4994571 0.80 SMN1; SMN2 (0.51) SMN1; SMN2LMNAMAPTNFKB1NFKB2

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-20080194574-A1 Pyrazine Derivatives As Effective Compounds Against Infectious Diseases AXXIMA PHARMACEUTICALS AG (DE) 2008-08-14 US claimed

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-20080194574-A1 Pyrazine Derivatives As Effective Compounds Against Infectious Diseases PRNP, PSEN1, PPP5C SMN1; SMN2 896/4885LMNA 2743/4885MAPT 5/4885

“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.