SCHEMBL6000143

SCHEMBL6000143

CN(CCC(=O)O)Cc1nc(-c2ccc(N(C)Cc3ccc(C4CCCCC4)cc3)cc2)cs1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MRE11 P49959 1/20 0.40
GCGR P47871 11/20 0.38
GIPR P48546 9/20 0.38
S1PR1 P21453 4/20 0.38
S1PR5 Q9H228 4/20 0.38
S1PR3 Q99500 3/20 0.38
TRPA1 O75762 1/20 0.38
STAT3 P40763 2/20 0.37
STAT1 P42224 1/20 0.37
STAT5B P51692 1/20 0.37

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
SCHEMBL5999217 0.91 STAT3 (0.39) MRE11S1PR1S1PR5S1PR3TRPA1
SCHEMBL5999147 0.90 GCGR (0.40) MRE11GCGRGIPRS1PR1S1PR5
SCHEMBL5999733 0.88 RXRA (0.42) MRE11S1PR1TRPA1STAT3STAT1
SCHEMBL6001059 0.86 RXRA (0.42) MRE11S1PR1TRPA1STAT3STAT1
SCHEMBL6000692 0.85 MRE11 (0.40) MRE11GCGRGIPRS1PR1S1PR5
SCHEMBL6000148 0.85 NPC1 (0.41) MRE11GCGRGIPRS1PR1S1PR5
SCHEMBL6000602 0.85 STAT3 (0.41) MRE11GCGRGIPRTRPA1STAT3
SCHEMBL6000047 0.84 STAT3 (0.41) MRE11STAT3STAT1STAT5B
SCHEMBL6000063 0.84 MRE11 (0.40) MRE11GCGRGIPRS1PR1S1PR5
SCHEMBL5999919 0.84 PTPN2 (0.40) MRE11TRPA1STAT3STAT1STAT5B

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 MRE11 4881/4885GCGR 194/4885GIPR 138/4885

“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.