SCHEMBL6000580

SCHEMBL6000580

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
ALDH1A1 P00352 3/20 0.36
RAB9A P51151 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 5/20 0.36
KMT2A Q03164 4/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
NPC1 O15118 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
DHODH Q02127 1/20 0.35
GFER P55789 1/20 0.35
GCGR P47871 2/20 0.35
GIPR P48546 2/20 0.35
STAT3 P40763 2/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
MAPK1 P28482 1/20 0.34
ROCK2 O75116 1/20 0.33

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 0.90 L3MBTL1 (0.37) PTPN2PTPN1ALDH1A1RAB9AL3MBTL1
SCHEMBL6000732 0.90 STAT3 (0.40) ALDH1A1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL6000909 0.88 KMT2A (0.38) PTPN2PTPN1ALDH1A1RAB9AL3MBTL1
SCHEMBL6000709 0.85 MMP13 (0.43) PTPN2PTPN1ALDH1A1RAB9AL3MBTL1
SCHEMBL6000721 0.84 PTPN2 (0.42) PTPN2PTPN1ALDH1A1RAB9AL3MBTL1
SCHEMBL6000779 0.84 PTPN2 (0.41) PTPN2PTPN1ALDH1A1RAB9AL3MBTL1
SCHEMBL6000585 0.83 RAB9A (0.42) PTPN2PTPN1ALDH1A1RAB9AMEN1
SCHEMBL6000298 0.80 NR4A2 (0.43) ALDH1A1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL6000806 0.77 AKT1 (0.39) ALDH1A1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL6000780 0.76 MMP1 (0.49) PTPN2PTPN1ALDH1A1RAB9AL3MBTL1

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 2/4885ALDH1A1 1733/4885

“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.