SCHEMBL6000732

SCHEMBL6000732

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.40
RAB9A P51151 4/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
NPC1 O15118 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 3/20 0.37
MEN1 O00255 2/20 0.37
GAA P10253 1/20 0.37
GCGR P47871 3/20 0.36
GIPR P48546 3/20 0.36
PPARD Q03181 1/20 0.36
RORC P51449 1/20 0.35
PTGS2 P35354 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.35
CNR2 P34972 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
SCHEMBL6000810 0.93 L3MBTL1 (0.37) STAT3RAB9AL3MBTL1ALDH1A1KMT2A
SCHEMBL6000580 0.90 PTPN2 (0.36) STAT3RAB9AL3MBTL1NPC1ALDH1A1
SCHEMBL6000779 0.88 PTPN2 (0.41) STAT3RAB9AL3MBTL1NPC1TDP1
SCHEMBL6000738 0.85 MEN1 (0.39) RAB9AL3MBTL1NPC1TDP1ALDH1A1
SCHEMBL6000909 0.84 KMT2A (0.38) RAB9AL3MBTL1NPC1ALDH1A1KMT2A
SCHEMBL6000709 0.81 MMP13 (0.43) RAB9AL3MBTL1ALDH1A1KMT2AMAPT
SCHEMBL6000721 0.80 PTPN2 (0.42) STAT3RAB9AL3MBTL1NPC1ALDH1A1
SCHEMBL6001082 0.80 KMT2A (0.39) STAT3RAB9AL3MBTL1NPC1TDP1
SCHEMBL6000750 0.79 MMP1 (0.44) RAB9AL3MBTL1NPC1TDP1KMT2A
SCHEMBL6000820 0.78 RAB9A (0.39) RAB9AL3MBTL1NPC1ALDH1A1KMT2A

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 STAT3 907/4885RAB9A 1393/4885L3MBTL1 2811/4885

“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.