SCHEMBL4897313

SCHEMBL4897313

CCOC(=O)C(Cc1c(C)cccc1[N+](=O)[O-])(NC(C)=O)C(=O)OCC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
RECQL P46063 1/20 0.56
PKM P14618 3/20 0.46
KDM4E B2RXH2 3/20 0.46
THRB P10828 2/20 0.45
HTT P42858 1/20 0.44
ATM Q13315 2/20 0.43
MAPK1 P28482 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.41
MAPT P10636 3/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.39
POLB P06746 2/20 0.39
NPC1 O15118 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39

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
SCHEMBL25331586 0.88 ALDH1A1 (0.54) ALDH1A1RECQLPKMKDM4ETHRB
SCHEMBL4795832 0.87 ALDH1A1 (0.53) ALDH1A1RECQLPKMKDM4ETHRB
SCHEMBL10756558 0.86 ALDH1A1 (0.53) ALDH1A1RECQLPKMKDM4ETHRB
SCHEMBL4898020 0.85 L3MBTL1 (0.48) ALDH1A1RECQLPKMKDM4EMAPK1
SCHEMBL4063597 0.83 ALDH1A1 (0.62) ALDH1A1RECQLPKMKDM4ETHRB
SCHEMBL9432335 0.82 ALDH1A1 (0.55) ALDH1A1RECQLPKMKDM4ETHRB
SCHEMBL11822579 0.81 L3MBTL1 (0.41) ALDH1A1PKMKDM4ETHRBMAPK1
SCHEMBL7422196 0.80 ALDH1A1 (0.58) ALDH1A1RECQLPKMKDM4ETHRB
SCHEMBL3808666 0.79 ALDH1A1 (0.54) ALDH1A1RECQLPKMKDM4ETHRB
SCHEMBL6747616 0.78 ALDH1A1 (0.65) ALDH1A1RECQLPKMKDM4EHTT

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-20080009512-A1 Tetrahydroquinolones and Aza-Analogues Thereof for Use as Dpp-IV Inhibitors in the Treatment of Diabetes ASTRAZENECA AB (SE) 2008-01-10 US disclosed
US-20080009512-A1 Tetrahydroquinolones and Aza-Analogues Thereof for Use as Dpp-IV Inhibitors in the Treatment of Diabetes ASTRAZENECA AB (SE) 2008-01-10 US disclosed
WO-2005123685-A1 TETRAHYDROQUINOLONES AND AZA-ANALOGUES THEREOF FOR USE AS DPP-IV INHIBITORS IN THE TREATEMENT OF DIABETES ASTRAZENECA AB (SE) 2005-12-29 WO 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-20080009512-A1 Tetrahydroquinolones and Aza-Analogues Thereof for Use as Dpp-IV Inhibitors in the Treatment of Diabetes DPP4, DPP8, DPP3 ALDH1A1 418/4885RECQL 218/4885PKM 3702/4885

“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.