SCHEMBL6001122

SCHEMBL6001122

CCC(CC)N(Cc1ccc(-c2csc(CN3Cc4ccccc4C[C@H]3C(=O)O)n2)cc1)c1ccc(C(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.37
ALOX5 P09917 1/20 0.35
CPB1 P15086 1/20 0.35
MMP3 P08254 1/20 0.34
MMP8 P22894 1/20 0.34
MMP13 P45452 1/20 0.34
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
ACE P12821 5/20 0.33
S1PR1 P21453 1/20 0.33
RAB9A P51151 1/20 0.32
HTT P42858 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
AKT1 P31749 1/20 0.31
PTPRB P23467 1/20 0.31
GCGR P47871 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
SCHEMBL6001128 1.00 NAMPT (0.37) NAMPTALOX5CPB1MMP3MMP8
SCHEMBL5999037 0.90 S1PR1 (0.37) NAMPTCPB1MMP3MMP8MMP13
SCHEMBL5999041 0.90 S1PR1 (0.37) NAMPTCPB1MMP3MMP8MMP13
SCHEMBL6001147 0.82 PTPN2 (0.42) NAMPTCPB1MMP3MMP8MMP13
SCHEMBL6000003 0.82 PTPN2 (0.42) NAMPTCPB1MMP3MMP8MMP13
SCHEMBL6000010 0.82 PTPN2 (0.42) NAMPTCPB1MMP3MMP8MMP13
SCHEMBL6000762 0.82 NAMPT (0.39) NAMPTCPB1MMP3MMP8MMP13
SCHEMBL6000025 0.79 NAMPT (0.39) NAMPTCPB1MMP3MMP8MMP13
SCHEMBL5999812 0.77 NAMPT (0.39) NAMPTCPB1MMP3MMP8MMP13
SCHEMBL5999799 0.77 NAMPT (0.39) NAMPTCPB1MMP3MMP8MMP13

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 2581/4885ALOX5 1693/4885CPB1 1274/4885

“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.