SCHEMBL5999799

SCHEMBL5999799

CN(Cc1ccc([C@H]2CC[C@H](C)CC2)cc1)c1ccc(-c2csc(CN3Cc4ccccc4CC3C(=O)O)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.39
CPB1 P15086 1/20 0.35
MMP8 P22894 3/20 0.33
MMP3 P08254 2/20 0.33
MMP13 P45452 1/20 0.33
UCHL1 P09936 1/20 0.32
HTT P42858 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
PREP P48147 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
AGTR2 P50052 1/20 0.31
GCGR P47871 2/20 0.31
GIPR P48546 2/20 0.31
AKT1 P31749 1/20 0.31
PTPRB P23467 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31

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
SCHEMBL5999812 1.00 NAMPT (0.39) NAMPTCPB1MMP8MMP3MMP13
SCHEMBL6000762 0.86 NAMPT (0.39) NAMPTCPB1MMP8MMP3MMP13
SCHEMBL6000025 0.86 NAMPT (0.39) NAMPTCPB1MMP8MMP3MMP13
SCHEMBL6001147 0.84 PTPN2 (0.42) NAMPTCPB1MMP8MMP3MMP13
SCHEMBL6000003 0.84 PTPN2 (0.42) NAMPTCPB1MMP8MMP3MMP13
SCHEMBL6000010 0.84 PTPN2 (0.42) NAMPTCPB1MMP8MMP3MMP13
SCHEMBL6000991 0.80 PTPN2 (0.40) NAMPTCPB1MMP13HTTMEN1
SCHEMBL6000999 0.80 PTPN2 (0.40) NAMPTCPB1MMP13HTTMEN1
SCHEMBL6000685 0.79 LTA4H (0.37) NAMPTCPB1HTTLMNAMAPT
SCHEMBL6000690 0.79 LTA4H (0.37) NAMPTCPB1HTTLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060122181-A1 Heteroaromatic pentacyclic compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2006-06-08 US claimed
EP-1553091-A1 HETEROAROMATIC PENTACYCLIC COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2005-07-13 EP claimed
US-20060122181-A1 Heteroaromatic pentacyclic compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2006-06-08 US disclosed
EP-1553091-A1 HETEROAROMATIC PENTACYCLIC COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2005-07-13 EP 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-20060122181-A1 Heteroaromatic pentacyclic compound and medicinal use thereof PTPN11, PTPN1, PTPN3 NAMPT 2581/4885CPB1 1274/4885MMP8 3166/4885

“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.