SCHEMBL6001086

SCHEMBL6001086

CCCC(CCC)c1ccc(CN(C)c2ccc(-c3csc(CN(C)C(Cc4ccccc4)C(=O)O)n3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45
NR4A2 P43354 1/20 0.40
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ROCK2 O75116 3/20 0.36
ROCK1 Q13464 3/20 0.36
GSTO1 P78417 1/20 0.34
HTT P42858 1/20 0.34
PTPRB P23467 1/20 0.34
MMP1 P03956 3/20 0.33
MMP13 P45452 3/20 0.33
MMP2 P08253 2/20 0.33
MMP9 P14780 2/20 0.33
RAB9A P51151 2/20 0.33
CPB1 P15086 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL6001079 1.00 PTPN2 (0.45) PTPN2PTPN1NR4A2MEN1KMT2A
SCHEMBL5999858 0.89 PTPN2 (0.45) PTPN2PTPN1NR4A2MEN1KMT2A
SCHEMBL5999860 0.89 PTPN2 (0.45) PTPN2PTPN1NR4A2MEN1KMT2A
SCHEMBL6000298 0.88 NR4A2 (0.43) NR4A2MEN1KMT2AL3MBTL1ROCK2
SCHEMBL5999823 0.87 PTPN1 (0.60) PTPN2PTPN1NR4A2MMP1MMP13
SCHEMBL5999819 0.87 PTPN1 (0.60) PTPN2PTPN1NR4A2MMP1MMP13
SCHEMBL6000540 0.85 PTPN2 (0.58) PTPN2PTPN1MEN1KMT2AL3MBTL1
SCHEMBL6001002 0.85 PTPN2 (0.58) PTPN2PTPN1MEN1KMT2AL3MBTL1
SCHEMBL5999855 0.85 PTPN2 (0.58) PTPN2PTPN1MEN1KMT2AL3MBTL1
SCHEMBL6000955 0.85 NR4A2 (0.41) NR4A2MEN1KMT2AL3MBTL1ROCK2

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 PTPN2 11/4885PTPN1 2/4885NR4A2 504/4885

“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.