SCHEMBL4996316

SCHEMBL4996316

COc1ccc2cc(-c3cncc(N4CCN(c5ccccc5OC)CC4)n3)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
DRD4 P21917 3/20 0.51
DRD2 P14416 3/20 0.51
DRD3 P35462 2/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
USP2 O75604 1/20 0.49
KDM4E B2RXH2 2/20 0.48
TSHR P16473 2/20 0.48
MAPT P10636 2/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
HTR1A P08908 6/20 0.48

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
SCHEMBL4997627 0.93 NPC1 (0.55) LMNAL3MBTL1DRD4DRD2DRD3
SCHEMBL4995126 0.90 DRD4 (0.59) LMNAL3MBTL1DRD4DRD2NPC1
SCHEMBL4997644 0.88 LMNA (0.56) LMNAL3MBTL1DRD4DRD2DRD3
SCHEMBL5000907 0.85 LMNA (0.56) LMNAL3MBTL1DRD4DRD2DRD3
SCHEMBL4994241 0.84 LMNA (0.57) LMNAL3MBTL1DRD2DRD3NPC1
SCHEMBL4987426 0.84 LMNA (0.57) LMNAL3MBTL1DRD4DRD2DRD3
SCHEMBL4996131 0.83 FYN (0.43) LMNANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL5003151 0.82 MAPT (0.50) LMNAL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL5003443 0.81 L3MBTL1 (0.54) LMNAL3MBTL1DRD4DRD2DRD3
SCHEMBL5003391 0.81 LMNA (0.54) LMNAL3MBTL1DRD4DRD2DRD3

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 LMNA 2743/4885L3MBTL1 4837/4885DRD4 1805/4885

“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.