SCHEMBL5719352

SCHEMBL5719352

Cn1c(=O)c2c(nc(N3CCN(C(=O)OC(C)(C)C)CC3)n2-c2ccccc2C(=O)O)n(C)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.45
MAOB P27338 1/20 0.43
ALDH1A1 P00352 9/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
HIF1A Q16665 1/20 0.42
LMNA P02545 3/20 0.42
TSHR P16473 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALOX15 P16050 1/20 0.42
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
MAPK1 P28482 3/20 0.41
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPSR1 Q6W5P4 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
DPP4 P27487 2/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL5719569 0.91 L3MBTL1 (0.42) HTR2AMAOBALDH1A1SMN1; SMN2HIF1A
SCHEMBL5719246 0.88 L3MBTL1 (0.45) HTR2AMAOBALDH1A1SMN1; SMN2HIF1A
SCHEMBL5718982 0.87 HTR2A (0.42) HTR2AMAOBALDH1A1SMN1; SMN2HIF1A
SCHEMBL5718930 0.87 ALDH1A1 (0.47) HTR2AMAOBALDH1A1SMN1; SMN2HIF1A
SCHEMBL5718837 0.86 HTR2A (0.41) HTR2AMAOBALDH1A1SMN1; SMN2HIF1A
SCHEMBL5719278 0.85 MAOB (0.46) MAOBALDH1A1SMN1; SMN2HIF1ALMNA
SCHEMBL5719240 0.84 HTR2A (0.40) HTR2AMAOBALDH1A1SMN1; SMN2HIF1A
SCHEMBL5719239 0.84 HTR2A (0.40) HTR2AMAOBALDH1A1SMN1; SMN2HIF1A
SCHEMBL5719021 0.80 L3MBTL1 (0.42) MAOBALDH1A1SMN1; SMN2HIF1ALMNA
Trifluoroacetic Acid SCHEMBL5719023 0.79 DPP4 (0.55) HTR2AALDH1A1HIF1ALMNATSHR

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 HTR2A 1359/4885MAOB 996/4885ALDH1A1 112/4885

“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.