SCHEMBL8200870

SCHEMBL8200870

CCOC(=O)c1nc2ccc(CC)cc2c(=O)[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.54
KDM4E B2RXH2 7/20 0.54
HPGD P15428 6/20 0.54
HSD17B10 Q99714 2/20 0.54
GABRA1 P14867 2/20 0.47
GABRB2 P47870 2/20 0.47
GAA P10253 3/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
TYMS P04818 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 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
SCHEMBL4933923 0.92 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDHSD17B10GABRA1
SCHEMBL689369 0.88 KDM4E (0.55) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL13343442 0.87 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL13343641 0.86 TYMS (0.49) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL688815 0.86 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDHSD17B10GABRA1
SCHEMBL31574222 0.86 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDHSD17B10GABRA1
SCHEMBL687822 0.86 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDHSD17B10GABRA1
SCHEMBL689649 0.86 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDHSD17B10CYP1A2
SCHEMBL30208243 0.86 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDHSD17B10GABRA1
SCHEMBL8197895 0.86 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDHSD17B10GABRA1

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-7713966-B2 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-05-11 US disclosed
US-7713966-B2 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-05-11 US disclosed
US-20080261968-A1 Heterobicyclic metalloprotease inhibitors GEGE CHRISTIAN 2008-10-23 US disclosed
US-20080261968-A1 Heterobicyclic metalloprotease inhibitors GEGE CHRISTIAN 2008-10-23 US disclosed
WO-2008063668-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-05-29 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-20080261968-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 ALDH1A1 1871/4885KDM4E 1572/4885HPGD 587/4885

“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.