SCHEMBL8276173

SCHEMBL8276173

CNC1Cc2ccccc2N(Cc2ccc(F)cc2)C1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ XIAP P98170 6/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ SLC6A2 P23975 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ TSHR P16473 1/20 0.44
▸ DRD2 P14416 2/20 0.44
▸ DRD4 P21917 2/20 0.44
▸ NPY1R P25929 1/20 0.44
▸ HDAC6 Q9UBN7 2/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC7 Q8WUI4 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC10 Q969S8 1/20 0.43
▸ ADRA2A P08913 1/20 0.43
▸ ADRA2B P18089 1/20 0.43
▸ ADRA2C P18825 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
Hydrochloric Acid SCHEMBL4897081 0.80 CYP1A2 (0.44) MEN1KMT2AALDH1A1
SCHEMBL24270340 0.73 KMT2A (0.72) MEN1KMT2AALDH1A1TP53SMN1; SMN2
SCHEMBL21339127 0.72 ADRA2A (0.67) SLC6A2ADRA2AADRA2BADRA2CHTR2A
SCHEMBL5134064 0.72 NPY1R (0.54) MEN1KMT2AXIAPALDH1A1SMN1; SMN2
SCHEMBL28995159 0.72 POLB (0.55) MEN1KMT2AXIAPALDH1A1DRD2
SCHEMBL30489292 0.72 POLB (0.55) MEN1KMT2AXIAPALDH1A1DRD2
SCHEMBL8274763 0.72 MEN1 (0.44) MEN1KMT2ATP53SMN1; SMN2TSHR
SCHEMBL22426245 0.71 ALDH1A1 (0.67) MEN1KMT2AALDH1A1TP53SMN1; SMN2
SCHEMBL22426246 0.71 ALDH1A1 (0.67) MEN1KMT2AALDH1A1TP53SMN1; SMN2
SCHEMBL5132571 0.71 NPY1R (0.59) KMT2AXIAPNPY1R

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 MEN1 2942/4885KMT2A 911/4885XIAP 2528/4885

“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.

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