SCHEMBL3485004

SCHEMBL3485004

CNC(=O)CNc1ncc(-c2cccc(C(F)(F)F)c2)cc1O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 16/20 0.53
GRIN1 Q05586 13/20 0.53
VEGFA P15692 1/20 0.48
FLT1 P17948 1/20 0.48
EGLN1 Q9GZT9 1/20 0.48
EGLN3 Q9H6Z9 1/20 0.48
PIK3CD O00329 1/20 0.47
PIK3CA P42336 1/20 0.47
PIK3CG P48736 1/20 0.47
PARP1 P09874 1/20 0.44
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KCNH2 Q12809 1/20 0.43
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL3484822 0.86 GRIN2B (0.52) GRIN2BGRIN1PIK3CDPIK3CAPIK3CG
SCHEMBL3484936 0.86 EGLN1 (0.53) GRIN2BVEGFAFLT1EGLN1EGLN3
SCHEMBL3484713 0.86 GRIN2B (0.55) GRIN2BGRIN1PARP1ALDH1A1L3MBTL1
SCHEMBL3035591 0.83 EGLN1 (0.69) GRIN2BGRIN1VEGFAFLT1EGLN1
SCHEMBL3485001 0.83 EGLN1 (0.72) GRIN2BGRIN1VEGFAFLT1EGLN1
SCHEMBL3485496 0.80 GRIN2B (0.46) GRIN2BGRIN1PIK3CDPIK3CAPIK3CG
SCHEMBL3485325 0.79 GRIN2B (0.46) GRIN2BGRIN1PIK3CDPIK3CAPIK3CG
SCHEMBL3030909 0.77 EGLN1 (0.52) GRIN2BVEGFAFLT1EGLN1EGLN3
SCHEMBL3485426 0.76 PARP1 (0.50) GRIN2BGRIN1PIK3CDPIK3CAPIK3CG
SCHEMBL3485404 0.76 PARP1 (0.49) GRIN2BGRIN1PIK3CDPIK3CAPIK3CG

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-20160009648-A1 PROLYL HYDROXYLASE INHIBITORS AND METHODS OF USE KREOS CAPITAL VII (UK) LIMITED (GB) 2016-01-14 US claimed
US-8343952-B2 Prolyl hydroxylase inhibitors and methods of use AKEBIA THERAPEUTICS INC. (US) 2013-01-01 US claimed
US-20100331303-A1 PROLYL HYDROXYLASE INHIBITORS AND METHODS OF USE AKEBIA THERAPEUTICS, INC. 2010-12-30 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20160009648-A1 PROLYL HYDROXYLASE INHIBITORS AND METHODS OF USE HIF1AN, EGLN3, HIF1A GRIN2B 4440/4885GRIN1 4305/4885VEGFA 117/4885
US-20100331303-A1 PROLYL HYDROXYLASE INHIBITORS AND METHODS OF USE HIF1AN, EGLN3, HIF1A GRIN2B 4440/4885GRIN1 4305/4885VEGFA 117/4885

“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.