SCHEMBL6001097

SCHEMBL6001097

CN(Cc1ccc(C2CCCCC2)cc1)c1ccc(-c2csc(N(C)Cc3ccc(C(=O)O)o3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 1/20 0.39
GCGR P47871 6/20 0.37
GIPR P48546 6/20 0.37
MRE11 P49959 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
STAT3 P40763 3/20 0.36
STAT1 P42224 1/20 0.36
STAT5B P51692 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
DHODH Q02127 1/20 0.36
TRPA1 O75762 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR5 Q9H228 1/20 0.35
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 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
SCHEMBL5585392 0.89 RXRA (0.42) CPB1GCGRGIPRMRE11MEN1
SCHEMBL6000638 0.89 RXRA (0.42) CPB1GCGRGIPRMRE11MEN1
Hydrochloric Acid SCHEMBL5585448 0.88 RXRA (0.41) CPB1GCGRGIPRMRE11MEN1
SCHEMBL5585528 0.88 RXRA (0.41) CPB1GCGRGIPRMRE11MEN1
SCHEMBL5585241 0.88 RXRA (0.41) CPB1GCGRGIPRMRE11MEN1
SCHEMBL5585463 0.88 RXRA (0.43) CPB1GCGRGIPRMRE11MEN1
Sulfuric Acid SCHEMBL5585551 0.85 RXRA (0.40) CPB1GCGRGIPRMRE11MEN1
SCHEMBL6001095 0.85 MRE11 (0.37) MRE11L3MBTL1STAT3STAT1STAT5B
Potassium Ion SCHEMBL5585240 0.85 GCGR (0.39) CPB1GCGRGIPRMRE11MEN1
SCHEMBL5585722 0.85 GCGR (0.41) CPB1GCGRGIPRMRE11STAT3

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
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 CPB1 1274/4885GCGR 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.