SCHEMBL6000614

SCHEMBL6000614

CCCC(CCC)c1ccc(OCc2ccc(-c3ccc(CN(CC(=O)O)Cc4nc5ccccc5[nH]4)s3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.51
PTPN2 P17706 1/20 0.51
TDP1 Q9NUW8 1/20 0.40
NPC1 O15118 6/20 0.39
RAB9A P51151 6/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
PPARG P37231 3/20 0.39
PPARA Q07869 2/20 0.39
NR4A2 P43354 1/20 0.37
DHODH Q02127 1/20 0.37
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL6000646 0.88 PTPN1 (0.51) PTPN1PTPN2TDP1NPC1RAB9A
SCHEMBL5999256 0.86 PTPN2 (0.46) PTPN1PTPN2NPC1RAB9ASMN1; SMN2
SCHEMBL6000022 0.86 TDP1 (0.40) PTPN1PTPN2TDP1ALDH1A1KMT2A
SCHEMBL5999082 0.85 PTPN2 (0.54) PTPN1PTPN2PPARGPPARANR4A2
SCHEMBL6000201 0.85 PTPN1 (0.67) PTPN1PTPN2TDP1NPC1RAB9A
SCHEMBL5999254 0.83 PTPN2 (0.52) PTPN1PTPN2NPC1RAB9ASMN1; SMN2
SCHEMBL5999730 0.83 PTPN1 (0.44) PTPN1PTPN2TDP1NPC1RAB9A
SCHEMBL6000866 0.83 PTPN1 (0.52) PTPN1PTPN2PPARGPPARANR4A2
SCHEMBL6000742 0.83 PTPN2 (0.51) PTPN1PTPN2PPARGPPARANR4A2
SCHEMBL6001108 0.82 PTPN2 (0.43) PTPN1PTPN2TDP1PPARGPPARA

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 PTPN1 2/4885PTPN2 11/4885TDP1 2972/4885

“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.