SCHEMBL5719291

SCHEMBL5719291

CCOC(=O)Cn1c(=O)c2c(nc(N3CCN(C(=O)OC(C)(C)C)CC3)n2-c2ccccc2OC)n(C)c1=O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.53
ALDH1A1 P00352 2/20 0.53
TSHR P16473 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
POLB P06746 4/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.50
USP2 O75604 1/20 0.47
TP53 P04637 2/20 0.46
HTR7 P34969 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL5719361 0.91 L3MBTL1 (0.47) LMNAALDH1A1TSHRNPSR1TP53
SCHEMBL5719592 0.84 ALDH1A1 (0.76) LMNAALDH1A1TSHRNPSR1POLB
Trifluoroacetic Acid SCHEMBL5719039 0.84 LMNA (0.55) LMNAALDH1A1TSHRNPSR1POLB
SCHEMBL5719876 0.82 LMNA (0.45) LMNAALDH1A1TSHRNPSR1POLB
SCHEMBL5719498 0.79 L3MBTL1 (0.49) ALDH1A1TP53L3MBTL1
SCHEMBL5718793 0.78 MEN1 (0.42) LMNAALDH1A1TSHRNPSR1POLB
SCHEMBL5719278 0.78 MAOB (0.46) LMNAALDH1A1TSHRNPSR1MAPK1
Trifluoroacetic Acid SCHEMBL5719128 0.77 LMNA (0.47) LMNAALDH1A1TSHRNPSR1POLB
SCHEMBL5719452 0.77 LMNA (0.39) LMNAALDH1A1TSHRNPSR1POLB
SCHEMBL5718995 0.76 DPP4 (0.44) LMNAALDH1A1TSHRNPSR1POLB

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-7074798-B2 Xanthine derivative and DPPIV inhibitor EISAI CO., LTD (JP) 2006-07-11 US disclosed
EP-1338595-B1 Xanthine derivatives as DPP-IV inhibitors EISAI CO LTD (JP) 2006-05-03 EP disclosed
US-20040082570-A1 Xanthine derivative and DPPIV inhibitor EISAI CO., LTD. (JP) 2004-04-29 US disclosed
EP-1338595-A2 Xanthine derivatives as DPP-IV inhibitors Eisai Co., Ltd. (JP) 2003-08-27 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-20040082570-A1 Xanthine derivative and DPPIV inhibitor DPP4, DPP9, DPP7 LMNA 4075/4885ALDH1A1 112/4885TSHR 2113/4885

“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.