SCHEMBL6000441

SCHEMBL6000441

CCCC(CCC)c1ccc(OCc2ccc(-c3ccc(CN(CC(=O)OCC)Cc4nc5ccccc5n4C)s3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
RAB9A P51151 6/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 5/20 0.37
ALOX5 P09917 1/20 0.36
PDE10A Q9Y233 1/20 0.36
PPARG P37231 2/20 0.34
PPARA Q07869 2/20 0.34
NR4A2 P43354 1/20 0.33
TSHR P16473 1/20 0.33
PRMT5 O14744 1/20 0.33
CXCR3 P49682 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 0.92 PTPN2 (0.52) PTPN2PTPN1RAB9ASMN1; SMN2NPC1
SCHEMBL6000673 0.91 PTPN2 (0.45) PTPN2PTPN1RAB9ASMN1; SMN2NPC1
SCHEMBL6000519 0.89 PTPN2 (0.41) PTPN2PTPN1RAB9ASMN1; SMN2NPC1
SCHEMBL6000512 0.87 PTPN2 (0.46) PTPN2PTPN1RAB9ASMN1; SMN2NPC1
SCHEMBL6001102 0.83 PTPN2 (0.49) PTPN2PTPN1PPARGPPARANR4A2
SCHEMBL5999728 0.82 PTPN2 (0.49) PTPN2PTPN1RAB9ASMN1; SMN2NPC1
SCHEMBL6000456 0.81 PTPN2 (0.52) PTPN2PTPN1RAB9ASMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL6000734 0.81 PTPN2 (0.52) PTPN2PTPN1RAB9ASMN1; SMN2NPC1
SCHEMBL6001018 0.81 PTPN2 (0.45) PTPN2PTPN1RAB9ASMN1; SMN2NPC1
Sulfuric Acid SCHEMBL6000124 0.79 PTPN1 (0.50) PTPN2PTPN1RAB9ASMN1; SMN2NPC1

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 3 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

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.