SCHEMBL6000456

SCHEMBL6000456

CCCC(CCC)c1ccc(OCc2ccc(-c3csc(CN(CC(=O)O)Cc4nc5ccccc5n4C)c3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.52
PTPN1 P18031 1/20 0.52
PDE10A Q9Y233 1/20 0.40
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALOX5 P09917 1/20 0.39
NPC1 O15118 3/20 0.38
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38
ALDH1A1 P00352 1/20 0.37
F2 P00734 1/20 0.37
PTGES O14684 1/20 0.35
FFAR1 O14842 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
HDAC6 Q9UBN7 2/20 0.34

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
Hydrochloric Acid SCHEMBL6000734 0.99 PTPN2 (0.52) PTPN2PTPN1PDE10ARAB9ASMN1; SMN2
Sulfuric Acid SCHEMBL6000124 0.97 PTPN1 (0.50) PTPN2PTPN1PDE10ARAB9ASMN1; SMN2
SCHEMBL5999254 0.89 PTPN2 (0.52) PTPN2PTPN1PDE10ARAB9ASMN1; SMN2
SCHEMBL6000577 0.88 PTPN2 (0.68) PTPN2PTPN1PDE10ARAB9ASMN1; SMN2
SCHEMBL6000830 0.85 PTPN2 (0.52) PTPN2PTPN1ALOX5FFAR1
SCHEMBL6000597 0.84 PTPN2 (0.59) PTPN2PTPN1RAB9ASMN1; SMN2ALOX5
SCHEMBL5999821 0.83 PTPN1 (0.51) PTPN2PTPN1PPARGPPARAFFAR1
SCHEMBL6000646 0.83 PTPN1 (0.51) PTPN2PTPN1RAB9ASMN1; SMN2NPC1
SCHEMBL6000048 0.83 PTPN1 (0.49) PTPN2PTPN1PPARGPPARAFFAR1
SCHEMBL6000512 0.82 PTPN2 (0.46) PTPN2PTPN1PDE10ARAB9ASMN1; SMN2

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 2/4885PDE10A 489/4885

“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.