SCHEMBL4997572

SCHEMBL4997572

COc1ccccc1N1CCN(c2cncc(-c3ccc(SC)cc3)n2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 2/20 0.52
TP53 P04637 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
MAPT P10636 1/20 0.52
TSHR P16473 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
USP2 O75604 1/20 0.47
DRD2 P14416 6/20 0.45
DRD3 P35462 5/20 0.45
HTR1A P08908 2/20 0.44
DRD4 P21917 2/20 0.44

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) LMNAL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL4987426 0.87 LMNA (0.57) LMNAL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL5003391 0.84 LMNA (0.54) LMNAL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL5003443 0.84 L3MBTL1 (0.54) LMNAL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL5000656 0.84 MAPT (0.49) LMNANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL4997644 0.84 LMNA (0.56) LMNAL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL5003435 0.83 TACR3 (0.55) LMNAL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL5000907 0.83 LMNA (0.56) LMNAL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL4997627 0.83 NPC1 (0.55) LMNAL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL4997045 0.82 CHEK1 (0.53) LMNAL3MBTL1NPC1RAB9ASMN1; SMN2

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 4837/4885NPC1 2008/4885

“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.