SCHEMBL6000721

SCHEMBL6000721

CC(C)CCN(CC(=O)O)Cc1nc(-c2ccc(N(C)Cc3ccc(CC(C)C)cc3)cc2)cs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 2/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 1/20 0.35
MMP1 P03956 3/20 0.35
MMP13 P45452 3/20 0.35
MMP2 P08253 2/20 0.35
MMP9 P14780 2/20 0.35
DHODH Q02127 1/20 0.34
GCGR P47871 2/20 0.34
GIPR P48546 2/20 0.34
LMNA P02545 1/20 0.33
STAT3 P40763 1/20 0.33
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 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
SCHEMBL6000709 0.90 MMP13 (0.43) PTPN2PTPN1MAPTL3MBTL1ALDH1A1
SCHEMBL6000779 0.88 PTPN2 (0.41) PTPN2PTPN1GAAMAPTL3MBTL1
SCHEMBL5999919 0.87 PTPN2 (0.40) PTPN2PTPN1GAAMAPTSTAT3
SCHEMBL5999939 0.86 PTPN2 (0.39) PTPN2PTPN1GAAMAPTL3MBTL1
SCHEMBL5999933 0.86 PTPN2 (0.39) PTPN2PTPN1GAAMAPTL3MBTL1
SCHEMBL6000580 0.84 PTPN2 (0.36) PTPN2PTPN1MAPTL3MBTL1ALDH1A1
SCHEMBL6000726 0.83 RAB9A (0.42) PTPN2PTPN1GAAMAPTALDH1A1
SCHEMBL6000909 0.82 KMT2A (0.38) PTPN2PTPN1MAPTL3MBTL1ALDH1A1
SCHEMBL5999947 0.81 PTPN2 (0.60) PTPN2PTPN1MAPTL3MBTL1ALDH1A1
SCHEMBL5999148 0.81 PTPN2 (0.41) PTPN2PTPN1GAAMAPTL3MBTL1

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 PTPN2 11/4885PTPN1 2/4885GAA 818/4885

“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.