SCHEMBL3850063

SCHEMBL3850063

CCOC(=O)c1c(O)c(C(C)C)nn(Cc2cccc(Br)c2)c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
PTGES O14684 1/20 0.41
ALOX5 P09917 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
POLB P06746 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
KDM4E B2RXH2 2/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 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
SCHEMBL3853119 0.87 MAPK1 (0.55) CYP19A1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL3852285 0.87 SMN1; SMN2 (0.47) CYP19A1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL3854885 0.85 POLB (0.49) SMN1; SMN2KMT2AMEN1LMNAHPGD
SCHEMBL4357096 0.84 CYP19A1 (0.49) CYP19A1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL3856749 0.83 SMN1; SMN2 (0.43) SMN1; SMN2KMT2AMEN1LMNAHPGD
SCHEMBL3849074 0.82 AKR1B1 (0.50) SMN1; SMN2KMT2AMEN1ALDH1A1PTGES
SCHEMBL3849121 0.82 MAPK1 (0.48) CYP19A1SMN1; SMN2LMNAHPGDALDH1A1
SCHEMBL3850324 0.82 KDM4E (0.44) SMN1; SMN2LMNAALDH1A1MAPK1L3MBTL1
SCHEMBL3852292 0.81 KDM4E (0.45) SMN1; SMN2KMT2AMEN1LMNAHPGD
SCHEMBL3849098 0.81 MAPK1 (0.38) SMN1; SMN2KMT2AMEN1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2889289-A1 Pyridazine-dione N-substituted glycine derivatives as HIF hydroxylase inhibitors GlaxoSmithKline LLC (US) 2015-07-01 EP disclosed
US-RE44613-E1 N-substituted glycine derivatives: hydroxylase inhibitors GLAXOSMITHKLINE LLC (US) 2013-11-26 US disclosed
CN-101626685-B N-substituted glycine derivatives: hydroxylase inhibitors SMITHKLINE BEECHAM CORP 2013-03-13 CN disclosed
CN-101626685-A The glycine derivative that N-replaces: hydroxylase inhibitors SMITHKLINE BEECHAM CORP 2010-01-13 CN disclosed
EP-2124565-A2 N-SUBSTITUTED GLYCINE DERIVATIVES: HYDROXYLASE INHIBITORS Smithkline Beecham Corporation (US) 2009-12-02 EP disclosed
US-7608621-B2 Such as n-{[2-[(4-bromo-2-fluorophenyl)methyl]-5-hydroxy-6-(1-methylethyl)-3-oxo-2,3-dihydro-4-pyridazinyl]carbonyl}glycine; anemia; increasing erythropoietin production SMITHKLINE BEECHAM, CORP. (US) 2009-10-27 US disclosed
US-20080214549-A1 N-Substituted Glycine Derivatives: Hydroxylase Inhibitors GLAXOSMITHKLINE LLC 2008-09-04 US disclosed
WO-2008089052-A2 N-SUBSTITUTED GLYCINE DERIVATIVES: HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-07-24 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-20080214549-A1 N-Substituted Glycine Derivatives: Hydroxylase Inhibitors EGLN2, EGLN3, HIF1AN CYP19A1 358/4885SMN1; SMN2 3490/4885KMT2A 495/4885

“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.