SCHEMBL5789175

SCHEMBL5789175

COc1ccccc1-n1c(N2CCNCC2)nc2c1c(=O)n(CC(=O)c1ccccc1)c(=O)n2C

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.51
HIF1A Q16665 1/20 0.49
DPP4 P27487 14/20 0.49
MAPK1 P28482 1/20 0.47
CHRM1 P11229 4/20 0.47
CHRM2 P08172 1/20 0.47
CHRM3 P20309 1/20 0.47
KCNH2 Q12809 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
FAP Q12884 1/20 0.46

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
Trifluoroacetic Acid SCHEMBL5719046 0.95 ALDH1A1 (0.49) ALDH1A1LMNAHIF1ADPP4MAPK1
SCHEMBL5788811 0.88 ALDH1A1 (0.54) ALDH1A1LMNAHIF1ADPP4CHRM1
Trifluoroacetic Acid SCHEMBL5718991 0.88 DPP4 (0.47) ALDH1A1LMNADPP4L3MBTL1FAP
Trifluoroacetic Acid SCHEMBL5719128 0.86 LMNA (0.47) ALDH1A1LMNADPP4MAPK1L3MBTL1
Trifluoroacetic Acid SCHEMBL5718914 0.86 MEN1 (0.46) ALDH1A1LMNADPP4MAPK1L3MBTL1
SCHEMBL5718995 0.85 DPP4 (0.44) ALDH1A1LMNADPP4MAPK1L3MBTL1
SCHEMBL5788088 0.85 ALDH1A1 (0.57) ALDH1A1LMNADPP4MAPK1FAP
Trifluoroacetic Acid SCHEMBL5719039 0.85 LMNA (0.55) ALDH1A1LMNADPP4MAPK1
Trifluoroacetic Acid SCHEMBL5719389 0.84 ALDH1A1 (0.50) ALDH1A1LMNAHIF1ADPP4CHRM1
SCHEMBL5789590 0.84 DPP4 (0.59) ALDH1A1LMNADPP4L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040082570-A1 Xanthine derivative and DPPIV inhibitor EISAI CO., LTD. (JP) 2004-04-29 US claimed
EP-1338595-A2 Xanthine derivatives as DPP-IV inhibitors Eisai Co., Ltd. (JP) 2003-08-27 EP claimed
US-7074798-B2 Xanthine derivative and DPPIV inhibitor EISAI CO., LTD (JP) 2006-07-11 US 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 ALDH1A1 112/4885LMNA 4075/4885HIF1A 2703/4885

“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.