SCHEMBL6000590

SCHEMBL6000590

CN(Cc1ccc(CC(C)(C)C)cc1)c1ccc(-c2csc(CN(C)C(C(=O)O)c3ccccc3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.39
MEN1 O00255 3/20 0.37
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 5/20 0.37
ROCK2 O75116 3/20 0.36
ROCK1 Q13464 3/20 0.36
GCGR P47871 1/20 0.35
GIPR P48546 1/20 0.35
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
RAB9A P51151 4/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MMP1 P03956 2/20 0.34
MMP2 P08253 2/20 0.34
MMP9 P14780 2/20 0.34
MMP13 P45452 2/20 0.34
OXTR P30559 1/20 0.34
ADRB3 P13945 1/20 0.34
NPC1 O15118 2/20 0.34

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
SCHEMBL6000955 0.88 NR4A2 (0.41) NR4A2MEN1KMT2AL3MBTL1ROCK2
SCHEMBL5999858 0.86 PTPN2 (0.45) NR4A2MEN1KMT2AL3MBTL1ROCK2
SCHEMBL5999860 0.86 PTPN2 (0.45) NR4A2MEN1KMT2AL3MBTL1ROCK2
SCHEMBL6000594 0.84 MEN1 (0.44) NR4A2MEN1KMT2AL3MBTL1RAB9A
SCHEMBL6001060 0.82 PTPN2 (0.44) MEN1KMT2AL3MBTL1ROCK2ROCK1
SCHEMBL5999185 0.78 MAPT (0.41) MEN1KMT2AL3MBTL1ROCK2ROCK1
SCHEMBL6000424 0.78 PTPN1 (0.41) NR4A2MEN1KMT2AL3MBTL1ROCK2
SCHEMBL6000298 0.77 NR4A2 (0.43) NR4A2MEN1KMT2AL3MBTL1ROCK2
SCHEMBL6000974 0.76 MMP13 (0.42) MEN1KMT2AL3MBTL1ROCK2ROCK1
SCHEMBL6001079 0.75 PTPN2 (0.45) 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 NR4A2 504/4885MEN1 4550/4885KMT2A 3203/4885

“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.