SCHEMBL5003199

SCHEMBL5003199

CC(=O)c1ccc(-c2cncc(N3CCN(c4cccc(C)c4C)CC3)n2)s1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
LMNA P02545 6/20 0.46
TSHR P16473 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 6/20 0.45
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
NPSR1 Q6W5P4 1/20 0.42
MAPK1 P28482 1/20 0.42
GAA P10253 2/20 0.41
HSP90AA1 P07900 1/20 0.41
TP53 P04637 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.40

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
SCHEMBL4997465 0.83 MEN1 (0.43) ALDH1A1LMNATSHRSMN1; SMN2MAPT
SCHEMBL4991693 0.82 LMNA (0.49) ALDH1A1LMNATSHRSMN1; SMN2L3MBTL1
SCHEMBL5003384 0.81 LMNA (0.51) ALDH1A1LMNATSHRSMN1; SMN2L3MBTL1
SCHEMBL4991950 0.79 CYP2C9 (0.44) ALDH1A1LMNATSHRL3MBTL1MAPT
SCHEMBL5003087 0.79 MAPT (0.46) ALDH1A1LMNATSHRSMN1; SMN2L3MBTL1
SCHEMBL4996733 0.75 MAPT (0.51) ALDH1A1LMNATSHRSMN1; SMN2L3MBTL1
SCHEMBL4996829 0.73 ALDH1A1 (0.50) ALDH1A1LMNATSHRSMN1; SMN2L3MBTL1
SCHEMBL4996877 0.71 NPC1 (0.45) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL4994763 0.69 MAPT (0.49) ALDH1A1LMNATSHRSMN1; SMN2MAPT
SCHEMBL11067105 0.67 ADRB1 (0.74) ALDH1A1LMNATSHRSMN1; SMN2L3MBTL1

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 ALDH1A1 1034/4885LMNA 2743/4885TSHR 2332/4885

“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.