SCHEMBL6000810

SCHEMBL6000810

CC(C)Cc1ccc(CN(C)c2ccc(-c3csc(CN(CC(=O)O)C(=O)Cc4ccc(C(C)C)cc4)n3)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 1/20 0.37
RAB9A P51151 1/20 0.37
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
MRE11 P49959 1/20 0.34
STAT3 P40763 1/20 0.34
MEN1 O00255 3/20 0.33
ALOX5 P09917 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
GCGR P47871 2/20 0.32
GIPR P48546 2/20 0.32
HAO1 Q9UJM8 1/20 0.32
DHODH Q02127 1/20 0.32
COPS5 Q92905 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL6000732 0.93 STAT3 (0.40) L3MBTL1ALDH1A1RAB9ASTAT3MEN1
SCHEMBL6000580 0.90 PTPN2 (0.36) L3MBTL1ALDH1A1RAB9APTPN2PTPN1
SCHEMBL6000820 0.85 RAB9A (0.39) L3MBTL1ALDH1A1RAB9APTPN2PTPN1
SCHEMBL6000909 0.84 KMT2A (0.38) L3MBTL1ALDH1A1RAB9APTPN2PTPN1
SCHEMBL6000779 0.81 PTPN2 (0.41) L3MBTL1ALDH1A1RAB9APTPN2PTPN1
SCHEMBL6000709 0.81 MMP13 (0.43) L3MBTL1ALDH1A1RAB9APTPN2PTPN1
SCHEMBL6000721 0.80 PTPN2 (0.42) L3MBTL1ALDH1A1RAB9APTPN2PTPN1
SCHEMBL6000678 0.80 PTPN2 (0.48) L3MBTL1ALDH1A1RAB9APTPN2PTPN1
SCHEMBL6000738 0.78 MEN1 (0.39) L3MBTL1ALDH1A1RAB9AMEN1KMT2A
SCHEMBL6000806 0.76 AKT1 (0.39) L3MBTL1ALDH1A1RAB9AMEN1KMT2A

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 L3MBTL1 2811/4885ALDH1A1 1733/4885RAB9A 1393/4885

“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.