SCHEMBL6001018

SCHEMBL6001018

CCCC(CCC)c1ccc(OCc2ccc(-c3ccc(C(=O)N(CC(=O)O)Cc4nc5ccccc5n4C)s3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45
NR4A2 P43354 1/20 0.41
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDE10A Q9Y233 1/20 0.38
NPC1 O15118 3/20 0.38
F2 P00734 1/20 0.38
ALOX5 P09917 1/20 0.37
HSD17B2 P37059 2/20 0.37
ALDH1A1 P00352 1/20 0.36
TP53 P04637 2/20 0.34
MAPT P10636 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CYSLTR2 Q9NS75 1/20 0.33
CYSLTR1 Q9Y271 1/20 0.33
ADAMTS5 Q9UNA0 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
SCHEMBL5999254 0.86 PTPN2 (0.52) PTPN2PTPN1NR4A2RAB9ASMN1; SMN2
SCHEMBL6000677 0.83 NR4A2 (0.46) PTPN2PTPN1NR4A2HSD17B2ALDH1A1
SCHEMBL6000493 0.82 PTPN2 (0.47) PTPN2PTPN1NR4A2HSD17B2TP53
SCHEMBL6000512 0.81 PTPN2 (0.46) PTPN2PTPN1NR4A2RAB9ASMN1; SMN2
SCHEMBL6000673 0.81 PTPN2 (0.45) PTPN2PTPN1NR4A2RAB9ASMN1; SMN2
SCHEMBL5999740 0.81 PTPN2 (0.47) PTPN2PTPN1NR4A2HSD17B2
SCHEMBL6000441 0.81 PTPN2 (0.44) PTPN2PTPN1NR4A2RAB9ASMN1; SMN2
SCHEMBL6000837 0.81 PTPN1 (0.46) PTPN2PTPN1NR4A2ALOX5HSD17B2
SCHEMBL6000761 0.80 PTPN2 (0.65) PTPN2PTPN1NR4A2HSD17B2
SCHEMBL6000456 0.79 PTPN2 (0.52) PTPN2PTPN1RAB9ASMN1; SMN2PDE10A

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 2/4885NR4A2 504/4885

“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.