SCHEMBL6001102

SCHEMBL6001102

CCCC(CCC)c1ccc(OCc2ccc(-c3ccc(CN(CC(=O)O)Cc4nc5ccccc5n4CC(=O)N(CC)CC)s3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.49
PTPN1 P18031 1/20 0.49
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
TP53 P04637 2/20 0.36
CXCR3 P49682 1/20 0.36
MAPT P10636 1/20 0.36
TSPO P30536 2/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HTT P42858 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
NR4A2 P43354 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL5999728 0.90 PTPN2 (0.49) PTPN2PTPN1PPARGPPARATP53
SCHEMBL5999254 0.89 PTPN2 (0.52) PTPN2PTPN1PPARGPPARATP53
SCHEMBL6000441 0.83 PTPN2 (0.44) PTPN2PTPN1PPARGPPARACXCR3
SCHEMBL6000673 0.82 PTPN2 (0.45) PTPN2PTPN1PPARGTP53MAPT
SCHEMBL6000512 0.82 PTPN2 (0.46) PTPN2PTPN1PPARGPPARAMAPT
SCHEMBL5999082 0.81 PTPN2 (0.54) PTPN2PTPN1PPARGPPARANR4A2
SCHEMBL6000614 0.80 PTPN1 (0.51) PTPN2PTPN1PPARGPPARATP53
SCHEMBL6000866 0.79 PTPN1 (0.52) PTPN2PTPN1PPARGPPARAMEN1
SCHEMBL6000625 0.78 PTPN2 (0.54) PTPN2PTPN1PPARGPPARANR4A2
SCHEMBL6000456 0.78 PTPN2 (0.52) PTPN2PTPN1PPARGPPARATP53

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 2/4885PPARG 435/4885

“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.