SCHEMBL5003443

SCHEMBL5003443

COc1ccccc1N1CCN(c2cncc(-c3ccc(N(C)C)cc3)n2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.54
LMNA P02545 2/20 0.54
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 2/20 0.52
MAPT P10636 2/20 0.52
TSHR P16473 2/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MEN1 O00255 1/20 0.52
TP53 P04637 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
KMT2A Q03164 1/20 0.52
RELA Q04206 1/20 0.52
GLA P06280 1/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
MAPK1 P28482 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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 0.87 LMNA (0.57) L3MBTL1LMNAALDH1A1KDM4EMAPT
SCHEMBL4987426 0.87 LMNA (0.57) L3MBTL1LMNAALDH1A1KDM4EMAPT
SCHEMBL5003391 0.84 LMNA (0.54) L3MBTL1LMNAALDH1A1KDM4EMAPT
SCHEMBL4997572 0.84 LMNA (0.54) L3MBTL1LMNAALDH1A1KDM4EMAPT
SCHEMBL4996338 0.84 MAPT (0.49) LMNAALDH1A1KDM4EMAPTTSHR
SCHEMBL4997644 0.84 LMNA (0.56) L3MBTL1LMNAALDH1A1KDM4EMAPT
SCHEMBL5000907 0.83 LMNA (0.56) L3MBTL1LMNAALDH1A1KDM4EMAPT
SCHEMBL5003435 0.83 TACR3 (0.55) L3MBTL1LMNAALDH1A1KDM4EMAPT
SCHEMBL4997627 0.83 NPC1 (0.55) L3MBTL1LMNAALDH1A1KDM4EMAPT
SCHEMBL4997045 0.82 CHEK1 (0.53) L3MBTL1LMNAALDH1A1KDM4EMAPT

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 L3MBTL1 4837/4885LMNA 2743/4885ALDH1A1 1034/4885

“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.