SCHEMBL5772185

SCHEMBL5772185

Cn1c(=O)c2c(nc(N3CCN(C(=O)O)C(C(C)(C)C)C3)n2-c2ccccc2Cl)n(COC(=O)C(C)(C)C)c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.36
DPP4 P27487 10/20 0.36
ALDH1A1 P00352 6/20 0.36
TSHR P16473 3/20 0.36
LMNA P02545 3/20 0.36
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MAPK1 P28482 2/20 0.35
RECQL P46063 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CHRM1 P11229 2/20 0.34
CHRM2 P08172 1/20 0.34
CHRM3 P20309 1/20 0.34
KCNH2 Q12809 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
SCHEMBL4177681 0.89 L3MBTL1 (0.40) HIF1ADPP4ALDH1A1TSHRLMNA
SCHEMBL6424223 0.87 MEN1 (0.41) HIF1ADPP4ALDH1A1TSHRLMNA
SCHEMBL6427112 0.84 HSD17B10 (0.35) DPP4ALDH1A1TSHRMAPTL3MBTL1
SCHEMBL6424057 0.83 DPP4 (0.39) DPP4ALDH1A1TSHRLMNANPSR1
SCHEMBL6409570 0.83 MAOB (0.38) HIF1ADPP4ALDH1A1TSHRLMNA
SCHEMBL2952792 0.83 L3MBTL1 (0.42) HIF1ADPP4ALDH1A1TSHRMAPT
SCHEMBL6425261 0.81 ALDH1A1 (0.52) HIF1ADPP4ALDH1A1TSHRLMNA
SCHEMBL2962650 0.80 ALDH1A1 (0.38) ALDH1A1TSHRLMNANPSR1CYP3A4
SCHEMBL6423053 0.79 ALDH1A1 (0.38) DPP4ALDH1A1TSHRLMNAMAPT
SCHEMBL5719564 0.77 TSHR (0.38) HIF1AALDH1A1TSHRLMNAMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060094722-A1 Combination drug EISAI CO., LTD. (JP) 2006-05-04 US disclosed
EP-1557165-A1 COMBINATION DRUG Eisai Co., Ltd. (JP) 2005-07-27 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-20060094722-A1 Combination drug DPP4, GLP1R, DPP7 HIF1A 2615/4885DPP4 1/4885ALDH1A1 3230/4885

“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.