SCHEMBL3517477

SCHEMBL3517477

CCCNc1nc2ccc(OC)c(C(=O)OC)c2nc1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
DHODH Q02127 1/20 0.41
GAA P10253 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
APP P05067 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
PGK1 P00558 4/20 0.39
PDE5A O76074 1/20 0.39
PTGS1 P23219 1/20 0.39
PLA2G2A P14555 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38

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
SCHEMBL3522479 0.87 PGK1 (0.44) ALDH1A1KDM4EHPGDLMNANPSR1
SCHEMBL3518290 0.84 NPSR1 (0.49) ALDH1A1KDM4ELMNANPSR1TDP1
SCHEMBL3523060 0.80 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDLMNANPSR1
SCHEMBL3519204 0.80 PLA2G2A (0.45) ALDH1A1KDM4ELMNANPSR1DHODH
SCHEMBL3522740 0.78 DHODH (0.46) ALDH1A1KDM4ELMNANPSR1L3MBTL1
SCHEMBL3521577 0.75 EGLN3 (0.50) ALDH1A1KDM4EHPGDLMNANPSR1
SCHEMBL3518485 0.73 HPGD (0.43) ALDH1A1KDM4EHPGDLMNANPSR1
SCHEMBL3524998 0.73 ECE1 (0.52) ALDH1A1KDM4ELMNANPSR1L3MBTL1
SCHEMBL3528832 0.73 ECE1 (0.52) ALDH1A1KDM4ELMNANPSR1L3MBTL1
SCHEMBL3753086 0.71 SMN1; SMN2 (0.52) ALDH1A1HPGDDHODHGAAPLA2G2A

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-20100305133-A1 Prolyl Hydroxylase Inhibitors SMITHKLINE BEECHAM CORPORATION 2010-12-02 US disclosed
EP-2227770-A2 PROLYL HYDROXYLASE INHIBITORS GlaxoSmithKline LLC (US) 2010-09-15 EP disclosed
WO-2009073497-A2 PROLYL HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-11 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-20100305133-A1 Prolyl Hydroxylase Inhibitors HIF1AN, EGLN3, EGLN2 ALDH1A1 191/4885KDM4E 176/4885HPGD 51/4885

“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.