SCHEMBL6000750

SCHEMBL6000750

CN(Cc1ccccc1)c1ccc(-c2csc(CN(CC(=O)O)Cc3ccc(Cl)cc3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.44
MMP13 P45452 3/20 0.44
MMP2 P08253 2/20 0.44
MMP9 P14780 2/20 0.44
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
GCGR P47871 4/20 0.42
GIPR P48546 4/20 0.42
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
MEN1 O00255 1/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.41
PPARD Q03181 1/20 0.40

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 0.93 MMP1 (0.49) MMP1MMP13MMP2MMP9KMT2A
SCHEMBL6000779 0.91 PTPN2 (0.41) MMP1MMP13MMP2MMP9KMT2A
SCHEMBL5999054 0.91 PPARG (0.43) MMP1MMP13MMP2MMP9KMT2A
SCHEMBL6000891 0.90 MMP1 (0.41) MMP1MMP13MMP2MMP9KMT2A
SCHEMBL6000709 0.89 MMP13 (0.43) MMP1MMP13MMP2MMP9KMT2A
SCHEMBL6001060 0.89 PTPN2 (0.44) MMP1MMP13MMP2MMP9KMT2A
SCHEMBL6001010 0.86 PTPN2 (0.41) MMP1MMP13MMP2MMP9KMT2A
SCHEMBL6001002 0.86 PTPN2 (0.58) MMP1MMP13MMP2MMP9KMT2A
SCHEMBL6000540 0.86 PTPN2 (0.58) MMP1MMP13MMP2MMP9KMT2A
SCHEMBL6000602 0.86 STAT3 (0.41) MMP1MMP13MMP2MMP9KMT2A

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 MMP1 3740/4885MMP13 2340/4885MMP2 3073/4885

“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.