SCHEMBL15042998

SCHEMBL15042998

CN(C)c1nc2ccc3cc(B4OC(C)(C)C(C)(C)O4)ccc3c2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 10/20 0.36
LIPG Q9Y5X9 10/20 0.36
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
SNCA P37840 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
EGFR P00533 2/20 0.34
PRMT5 O14744 2/20 0.33
WDR77 Q9BQA1 2/20 0.33
CSF1R P07333 1/20 0.31
SGK1 O00141 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
GMNN O75496 1/20 0.30
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
CSNK2A2 P19784 1/20 0.30
NFKB1 P19838 1/20 0.30
CCNA2 P20248 1/20 0.30

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
SCHEMBL12294889 0.77 LPL (0.36) LPLLIPGIDO1TDO2SNCA
SCHEMBL15430406 0.77 NPC1 (0.40) LPLLIPGIDO1TDO2SNCA
SCHEMBL12294839 0.77 LPL (0.36) LPLLIPGIDO1TDO2SNCA
SCHEMBL6126262 0.75 LPL (0.53) LPLLIPGIRAK4PRMT5WDR77
SCHEMBL14758668 0.74 SCN10A (0.43) LPLLIPGIDO1TDO2SNCA
SCHEMBL1627177 0.73 LPL (0.51) LPLLIPGIDO1TDO2IRAK4
SCHEMBL1293460 0.70 LPL (0.62) LPLLIPGSNCAIRAK4
SCHEMBL29644319 0.70 LPL (0.62) LPLLIPGSNCAIRAK4
SCHEMBL1628014 0.70 LPL (0.47) LPLLIPGIDO1TDO2IRAK4
SCHEMBL2261034 0.68 LPL (0.58) LPLLIPGIRAK4PRMT5WDR77

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-20130156731-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEAS SCHERING CORPORATION 2013-06-20 US 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-20130156731-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEAS HAVCR2, ELOC, ZC3HAV1 LPL 3228/4885LIPG 2218/4885IDO1 3096/4885

“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.