SCHEMBL5799093

SCHEMBL5799093

CN(C)Cc1ccsc1CO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
G6PD P11413 1/20 0.39
PABPC1 P11940 1/20 0.39
KMT2A Q03164 1/20 0.39
HKDC1 Q2TB90 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALOX5 P09917 1/20 0.35
SLC6A4 P31645 7/20 0.34
RIPK1 Q13546 1/20 0.34
HSD11B1 P28845 1/20 0.34
SLC6A2 P23975 4/20 0.33
ALOX15 P16050 2/20 0.32
CYP2C19 P33261 2/20 0.32

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
SCHEMBL4743163 0.81 HTR2A (0.46) SLC6A4HRH3
SCHEMBL5917655 0.80 ALDH1A1 (0.34) ALDH1A1KDM4EMEN1POLBGAA
SCHEMBL5800007 0.80 KEAP1 (0.46) ALDH1A1KDM4EMEN1POLBGAA
SCHEMBL2690986 0.78
SCHEMBL9769395 0.78 CYP1A2 (0.40) ALDH1A1KDM4EMAPTSLC6A4SLC6A2
SCHEMBL5109192 0.73 LTB4R (0.34) ALDH1A1ALOX5
SCHEMBL3462 0.73 HTR2A (0.42) HRH3
SCHEMBL10676908 0.72 ALDH1A1 (0.38) ALDH1A1KDM4EMEN1POLBGAA
SCHEMBL2990023 0.71 SLC6A4 (0.38) ALDH1A1KDM4EMEN1POLBGAA
SCHEMBL18901137 0.71 LMNA (0.38) ALDH1A1KDM4EMEN1POLBGAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060211739-A1 Use of selective P2X7 receptor antagonists ABBOTT LABORATORIES 2006-09-21 US disclosed
WO-2006086229-A1 THE USE OF SELECTIVE P2X7 RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 2006-08-17 WO disclosed

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-20060211739-A1 Use of selective P2X7 receptor antagonists P2RX1, P2RX3, P2RX7 ALDH1A1 810/4885KDM4E 3385/4885MEN1 4139/4885

“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.