SCHEMBL4898020

SCHEMBL4898020

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
TSHR P16473 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HSD17B10 Q99714 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
RECQL P46063 1/20 0.39
KCNMA1 Q12791 1/20 0.39
FBP1 P09467 1/20 0.39
POLB P06746 2/20 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
SCHEMBL4897313 0.85 ALDH1A1 (0.56) L3MBTL1TDP1TSHRSMN1; SMN2MEN1
SCHEMBL7425417 0.80 CYP2C19 (0.47) L3MBTL1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL4408694 0.75 TDP1 (0.60) L3MBTL1TDP1TSHRSMN1; SMN2HSD17B10
SCHEMBL16397415 0.75 TDP1 (0.60) L3MBTL1TDP1TSHRSMN1; SMN2HSD17B10
SCHEMBL6192239 0.74 SMN1; SMN2 (0.49) L3MBTL1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL25331586 0.73 ALDH1A1 (0.54) L3MBTL1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL19229484 0.73 TDP1 (0.47) L3MBTL1TDP1TSHRSMN1; SMN2HSD17B10
SCHEMBL7877955 0.73 TDP1 (0.57) L3MBTL1TDP1TSHRSMN1; SMN2HSD17B10
SCHEMBL4795832 0.72 ALDH1A1 (0.53) L3MBTL1TDP1MEN1KMT2ARAB9A
SCHEMBL3961070 0.72 TSHR (0.58) L3MBTL1TDP1TSHRSMN1; SMN2HSD17B10

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
EP-1758863-A1 TETRAHYDROQUINOLONES AND AZA-ANALOGUES THEREOF FOR USE AS DPP-IV INHIBITORS IN THE TREATEMENT OF DIABETES AstraZeneca AB (SE) 2007-03-07 EP 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 L3MBTL1 3419/4885TDP1 1603/4885TSHR 477/4885

“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.