SCHEMBL6000519

SCHEMBL6000519

CCCC(CCC)c1ccc(OCc2ccc(-c3ccc(CN(CC(=O)OS(=O)(=O)c4ccc(C)cc4)Cc4nc5ccccc5n4C)s3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
RAB9A P51151 8/20 0.38
NPC1 O15118 6/20 0.38
LMNA P02545 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PLK1 P53350 1/20 0.33
ALOX5 P09917 1/20 0.33
PDE10A Q9Y233 1/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 3/20 0.31
TP53 P04637 1/20 0.31
PPARG P37231 1/20 0.31

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
SCHEMBL6000512 0.90 PTPN2 (0.46) PTPN2PTPN1RAB9ANPC1LMNA
SCHEMBL6000441 0.89 PTPN2 (0.44) PTPN2PTPN1RAB9ANPC1SMN1; SMN2
SCHEMBL6000673 0.87 PTPN2 (0.45) PTPN2PTPN1RAB9ANPC1ALDH1A1
SCHEMBL5999254 0.87 PTPN2 (0.52) PTPN2PTPN1RAB9ANPC1SMN1; SMN2
SCHEMBL6001102 0.77 PTPN2 (0.49) PTPN2PTPN1NPSR1KMT2AMEN1
SCHEMBL5999728 0.77 PTPN2 (0.49) PTPN2PTPN1RAB9ANPC1ALDH1A1
Sulfuric Acid SCHEMBL6000124 0.77 PTPN1 (0.50) PTPN2PTPN1RAB9ANPC1ALDH1A1
SCHEMBL6000456 0.77 PTPN2 (0.52) PTPN2PTPN1RAB9ANPC1ALDH1A1
SCHEMBL6001018 0.76 PTPN2 (0.45) PTPN2PTPN1RAB9ANPC1ALDH1A1
Hydrochloric Acid SCHEMBL6000734 0.76 PTPN2 (0.52) PTPN2PTPN1RAB9ANPC1ALDH1A1

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 2/4885RAB9A 1393/4885

“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.