SCHEMBL6000192

SCHEMBL6000192

CN(C[C@H]1CC[C@H](c2ccc(Cl)cc2)CC1)c1ccc(-c2csc(CN(CC(=O)O)Cc3ccccc3)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 1/20 0.38
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 3/20 0.37
KMT2A Q03164 2/20 0.37
MMP1 P03956 2/20 0.37
MMP2 P08253 2/20 0.37
MMP9 P14780 2/20 0.37
MMP13 P45452 2/20 0.37
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
GCGR P47871 3/20 0.35
GIPR P48546 3/20 0.35
MEN1 O00255 1/20 0.35
DGAT1 O75907 2/20 0.35

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
SCHEMBL6000186 1.00 CPB1 (0.38) CPB1NPC1RAB9AL3MBTL1TDP1
SCHEMBL6000498 0.91 GCGR (0.41) CPB1L3MBTL1KMT2AMMP1MMP2
SCHEMBL6000499 0.91 GCGR (0.41) CPB1L3MBTL1KMT2AMMP1MMP2
SCHEMBL6000999 0.85 PTPN2 (0.40) CPB1L3MBTL1KMT2AMMP1MMP2
SCHEMBL6000991 0.85 PTPN2 (0.40) CPB1L3MBTL1KMT2AMMP1MMP2
SCHEMBL6000602 0.85 STAT3 (0.41) CPB1L3MBTL1KMT2AMMP1MMP2
SCHEMBL6000750 0.85 MMP1 (0.44) NPC1RAB9AL3MBTL1TDP1MAPT
SCHEMBL6000788 0.85 MMP13 (0.39) CPB1L3MBTL1MAPTKMT2AMMP1
SCHEMBL6000199 0.84 NAMPT (0.38) CPB1NPC1RAB9AMAPTKMT2A
SCHEMBL5999755 0.83 PTPN2 (0.39) CPB1L3MBTL1KMT2AMMP1MMP2

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 CPB1 1274/4885NPC1 955/4885RAB9A 1393/4885

“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.