SCHEMBL5000713

SCHEMBL5000713

COc1ccccc1N1CCN(c2cncc(-c3ccccc3C)n2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.53
USP2 O75604 1/20 0.53
HTR7 P34969 3/20 0.53
NPC1 O15118 4/20 0.51
RAB9A P51151 3/20 0.51
ALDH1A1 P00352 4/20 0.50
POLB P06746 1/20 0.50
MEN1 O00255 2/20 0.49
MAPT P10636 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPK1 P28482 1/20 0.49
KDM4E B2RXH2 1/20 0.49
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
DRD2 P14416 3/20 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
SCHEMBL4994241 0.83 LMNA (0.57) LMNAL3MBTL1SMN1; SMN2USP2NPC1
SCHEMBL4996073 0.83 LMNA (0.52) LMNAL3MBTL1SMN1; SMN2USP2NPC1
SCHEMBL4992085 0.83 MAPT (0.52) LMNASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL4997044 0.83 HTR7 (0.46) L3MBTL1SMN1; SMN2HTR7NPC1RAB9A
SCHEMBL4996849 0.82 LMNA (0.53) LMNAL3MBTL1SMN1; SMN2USP2HTR7
SCHEMBL4987386 0.81 MAPT (0.57) LMNAL3MBTL1SMN1; SMN2USP2NPC1
SCHEMBL4987426 0.81 LMNA (0.57) LMNAL3MBTL1SMN1; SMN2USP2NPC1
SCHEMBL4997644 0.80 LMNA (0.56) LMNAL3MBTL1SMN1; SMN2USP2HTR7
SCHEMBL4997526 0.80 CYP11B2 (0.51) LMNASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4997627 0.79 NPC1 (0.55) LMNAL3MBTL1SMN1; SMN2USP2NPC1

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 4837/4885SMN1; SMN2 896/4885

“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.