SCHEMBL4158508

SCHEMBL4158508

CCOC(=O)CC(=O)Nc1c(C(=O)OCC)cnn1-c1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.79
HTT P42858 4/20 0.69
RAB9A P51151 4/20 0.69
NPSR1 Q6W5P4 2/20 0.66
KDM4E B2RXH2 2/20 0.66
HPGD P15428 2/20 0.61
SMN1; SMN2 Q16637 4/20 0.58
NPC1 O15118 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
LMNA P02545 2/20 0.51
TSHR P16473 2/20 0.48
MAPT P10636 1/20 0.48
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47

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
SCHEMBL9010473 0.88 ALDH1A1 (0.79) ALDH1A1HTTRAB9ANPSR1KDM4E
SCHEMBL7934013 0.88 ALDH1A1 (0.79) ALDH1A1HTTRAB9ANPSR1KDM4E
SCHEMBL13975009 0.86 ALDH1A1 (0.77) ALDH1A1HTTRAB9ANPSR1KDM4E
SCHEMBL3516960 0.84 ALDH1A1 (0.74) ALDH1A1HTTRAB9ANPSR1KDM4E
SCHEMBL8699832 0.84 ALDH1A1 (0.73) ALDH1A1HTTRAB9ANPSR1KDM4E
SCHEMBL8696809 0.82 ALDH1A1 (0.71) ALDH1A1HTTRAB9ANPSR1KDM4E
SCHEMBL8696284 0.82 ALDH1A1 (0.72) ALDH1A1HTTRAB9ANPSR1KDM4E
SCHEMBL18788436 0.80 ALDH1A1 (0.51) ALDH1A1HTTRAB9ANPSR1KDM4E
SCHEMBL8693125 0.80 ALDH1A1 (0.70) ALDH1A1HTTRAB9ANPSR1KDM4E
SCHEMBL5332408 0.80 ALDH1A1 (0.85) ALDH1A1HTTRAB9ANPSR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090176825-A1 PROLYL HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-07-09 US 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-20090176825-A1 PROLYL HYDROXYLASE INHIBITORS HIF1AN, EGLN2, EGLN3 ALDH1A1 319/4885HTT 1880/4885RAB9A 4158/4885

“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.