SCHEMBL3485404

SCHEMBL3485404

CC(Nc1ncc(-c2cccc(C(F)(F)F)c2)cc1O)C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.49
GRIN2B Q13224 13/20 0.48
GRIN1 Q05586 11/20 0.48
KIF11 P52732 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
ATM Q13315 1/20 0.44
MCL1 Q07820 1/20 0.43
SYK P43405 1/20 0.43
PIK3CD O00329 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CG P48736 1/20 0.42
SCN9A Q15858 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
SCHEMBL3485325 0.88 GRIN2B (0.46) PARP1GRIN2BGRIN1ALDH1A1GAA
SCHEMBL3485270 0.87 GRIN2B (0.47) PARP1GRIN2BGRIN1ALDH1A1GAA
SCHEMBL3484846 0.86 EGLN1 (0.47) GRIN2BSCN9A
SCHEMBL3480617 0.83 VEGFA (0.48) GRIN2BGRIN1
SCHEMBL3485401 0.83 EGLN1 (0.48) PARP1GRIN2BGRIN1KIF11PIK3CD
SCHEMBL3484822 0.82 GRIN2B (0.52) PARP1GRIN2BGRIN1KIF11PIK3CD
SCHEMBL3485426 0.81 PARP1 (0.50) PARP1GRIN2BGRIN1KIF11PIK3CD
SCHEMBL14331159 0.79 SCN9A (0.46) GRIN2BSCN9A
SCHEMBL3485004 0.76 GRIN2B (0.53) PARP1GRIN2BGRIN1ALDH1A1PIK3CD
SCHEMBL3485496 0.76 GRIN2B (0.46) PARP1GRIN2BGRIN1KIF11ALDH1A1

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 PARP1 184/4885GRIN2B 4440/4885GRIN1 4305/4885
US-20100331303-A1 PROLYL HYDROXYLASE INHIBITORS AND METHODS OF USE HIF1AN, EGLN3, HIF1A PARP1 184/4885GRIN2B 4440/4885GRIN1 4305/4885

“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.