SCHEMBL3485325

SCHEMBL3485325

CNC(=O)C(C)Nc1ncc(-c2cccc(C(F)(F)F)c2)cc1O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 13/20 0.46
GRIN1 Q05586 11/20 0.46
CNR2 P34972 2/20 0.44
CNR1 P21554 1/20 0.44
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CG P48736 1/20 0.43
PARP1 P09874 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
ATM Q13315 1/20 0.43
MCL1 Q07820 1/20 0.42
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL3485404 0.88 PARP1 (0.49) GRIN2BGRIN1PIK3CDPIK3CAPIK3CG
SCHEMBL3485345 0.86 EGLN1 (0.46) GRIN2BGRIN1CNR2CNR1ALDH1A1
SCHEMBL3485270 0.86 GRIN2B (0.47) GRIN2BGRIN1PARP1ALDH1A1GAA
SCHEMBL3485188 0.83 VEGFA (0.53) GRIN2BGRIN1CNR2CNR1SMN1; SMN2
SCHEMBL3485322 0.83 CNR2 (0.47) GRIN2BGRIN1CNR2CNR1PIK3CD
SCHEMBL14331205 0.79 CHRNA7 (0.45) GRIN2B
SCHEMBL3485496 0.79 GRIN2B (0.46) GRIN2BGRIN1CNR2CNR1PIK3CD
SCHEMBL3485004 0.79 GRIN2B (0.53) GRIN2BGRIN1PIK3CDPIK3CAPIK3CG
SCHEMBL3484822 0.76 GRIN2B (0.52) GRIN2BGRIN1PIK3CDPIK3CAPIK3CG
SCHEMBL3485426 0.76 PARP1 (0.50) 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 4305/4885CNR2 2002/4885
US-20100331303-A1 PROLYL HYDROXYLASE INHIBITORS AND METHODS OF USE HIF1AN, EGLN3, HIF1A GRIN2B 4440/4885GRIN1 4305/4885CNR2 2002/4885

“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.