SCHEMBL6000892

SCHEMBL6000892

CN(Cc1ccc(C2CCCCC2)cc1)c1ccc(-c2csc(CNC(Cc3ccccc3)C(=O)O)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MRE11 P49959 1/20 0.40
CPB1 P15086 1/20 0.38
TRPA1 O75762 1/20 0.38
PTPRB P23467 2/20 0.37
STAT3 P40763 3/20 0.37
STAT1 P42224 1/20 0.37
STAT5B P51692 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GPR142 Q7Z601 1/20 0.36
MME P08473 2/20 0.36
ACE P12821 2/20 0.36
CPA1 P15085 2/20 0.36
ACE2 Q9BYF1 2/20 0.36
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
NAMPT P43490 1/20 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
SCHEMBL5999849 0.88 MRE11 (0.39) MRE11CPB1TRPA1STAT3STAT1
SCHEMBL6001030 0.88 MRE11 (0.41) MRE11TRPA1STAT3STAT1STAT5B
SCHEMBL6000896 0.83 RAB9A (0.43) MMP2MMP9MRE11TRPA1PTPRB
SCHEMBL6000063 0.83 MRE11 (0.40) MRE11CPB1TRPA1STAT3STAT1
SCHEMBL6000602 0.82 STAT3 (0.41) MMP2MMP9MRE11CPB1TRPA1
SCHEMBL5999147 0.82 GCGR (0.40) MMP2MMP9MRE11CPB1TRPA1
SCHEMBL6000636 0.81 RXRA (0.39) MRE11TRPA1STAT3STAT1STAT5B
SCHEMBL6001082 0.80 KMT2A (0.39) STAT3MEN1KMT2AL3MBTL1
SCHEMBL6001059 0.80 RXRA (0.42) MRE11TRPA1STAT3STAT1STAT5B
SCHEMBL6000143 0.80 MRE11 (0.40) MRE11TRPA1STAT3STAT1STAT5B

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 MMP2 3073/4885MMP9 3652/4885MRE11 4881/4885

“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.