SCHEMBL6000710

SCHEMBL6000710

CN(Cc1ccccc1)c1ccc(-c2csc(CN(CC(=O)O)Cc3ccc4ccccc4n3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
MMP1 P03956 2/20 0.39
MMP2 P08253 2/20 0.39
MMP9 P14780 2/20 0.39
MMP13 P45452 2/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
PDK1 Q15118 1/20 0.39
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
ALDH1A1 P00352 1/20 0.37
RAB9A P51151 1/20 0.37
PDE10A Q9Y233 4/20 0.36
GSTO1 P78417 1/20 0.35
HTT P42858 1/20 0.35
LMNA P02545 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
SCHEMBL6000780 0.86 MMP1 (0.49) HDAC1HDAC2MMP1MMP2MMP9
SCHEMBL6000750 0.83 MMP1 (0.44) MMP1MMP2MMP9MMP13MEN1
SCHEMBL6000989 0.83 PPARG (0.43) MMP1MMP2MMP9MMP13MEN1
SCHEMBL6000891 0.83 MMP1 (0.41) MMP1MMP2MMP9MMP13MEN1
SCHEMBL6000719 0.82 RAB9A (0.46) HDAC1HDAC2MMP1MMP2MMP9
SCHEMBL6000709 0.82 MMP13 (0.43) HDAC1HDAC2MMP1MMP2MMP9
SCHEMBL6001060 0.82 PTPN2 (0.44) MMP1MMP2MMP9MMP13MEN1
SCHEMBL5999054 0.80 PPARG (0.43) MMP1MMP2MMP9MMP13MEN1
SCHEMBL6000602 0.79 STAT3 (0.41) MMP1MMP2MMP9MMP13MEN1
SCHEMBL6000540 0.79 PTPN2 (0.58) MMP1MMP2MMP9MMP13MEN1

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 HDAC1 319/4885HDAC2 590/4885MMP1 3740/4885

“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.