SCHEMBL6000195

SCHEMBL6000195

CC(C)CN(Cc1ccc(-c2csc(CN(CC(=O)O)C(=O)N3CCOCC3)n2)cc1)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 5/20 0.42
GIPR P48546 5/20 0.42
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
HPGD P15428 1/20 0.36
LMNA P02545 3/20 0.35
RAB9A P51151 5/20 0.34
NPC1 O15118 3/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GSTO1 P78417 1/20 0.34
ALDH1A1 P00352 4/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
HDAC1 Q13547 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
SCHEMBL6000461 0.84 GCGR (0.44) GCGRGIPRPTPN2PTPN1RAB9A
SCHEMBL6000608 0.83 HDAC1 (0.44) GCGRGIPRPTPN2PTPN1RAB9A
SCHEMBL6000036 0.81 GCGR (0.46) GCGRGIPRPTPN2PTPN1RAB9A
SCHEMBL5999373 0.78 PTGER2 (0.43) GCGRGIPRPTPN1
SCHEMBL6001010 0.71 PTPN2 (0.41) GCGRGIPRPTPN2PTPN1RAB9A
SCHEMBL6001106 0.71 PTPN2 (0.46) PTPN2PTPN1LMNARAB9ANPC1
SCHEMBL6000851 0.70 PTPN1 (0.41) GCGRGIPRPTPN2PTPN1RAB9A
SCHEMBL5999114 0.70 PTPN2 (0.46) PTPN2PTPN1RAB9ANPC1MAPT
SCHEMBL6000901 0.68 PTPN2 (0.48) GCGRGIPRPTPN2PTPN1LMNA
SCHEMBL6001028 0.68 PTPN2 (0.51) PTPN2PTPN1HPGDLMNARAB9A

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 GCGR 194/4885GIPR 138/4885PTPN2 11/4885

“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.