SCHEMBL3484992

SCHEMBL3484992

CN(C)C(=O)CNc1ncc(-c2ccc3c(c2)OCCO3)cc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.45
CHEK1 O14757 1/20 0.43
CHEK2 O96017 1/20 0.43
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
BRCA1 P38398 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
MAPT P10636 3/20 0.38
ALPL P05186 1/20 0.38
PDCD1 Q15116 3/20 0.37
CD274 Q9NZQ7 3/20 0.37
PDE5A O76074 1/20 0.37
PDE6A P16499 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
LMNA P02545 1/20 0.37
NFKB1 P19838 1/20 0.37

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
SCHEMBL3484277 0.86 ALOX5 (0.46) ALOX5CHEK1CHEK2ALDH1A1KDM4E
SCHEMBL3484920 0.85 CHEK2 (0.50) ALOX5CHEK1CHEK2NPC1RAB9A
SCHEMBL3484990 0.83 EGLN1 (0.51)
SCHEMBL3485538 0.80 ALOX5 (0.44) ALOX5CHEK1CHEK2ALDH1A1KDM4E
SCHEMBL3485349 0.80 ALOX5 (0.44) ALOX5CHEK1CHEK2KDM4ENPC1
SCHEMBL14331171 0.79 GRIN2B (0.51) PDE5A
SCHEMBL3485009 0.77 GRIN2B (0.53)
SCHEMBL3045422 0.76 EGLN1 (0.53) ALOX5MAPTCNR2
SCHEMBL3485262 0.75 SYK (0.51) ALOX5CHEK1CHEK2MAPT
SCHEMBL3485024 0.75 CHEK2 (0.48) ALOX5CHEK1CHEK2ALDH1A1NPC1

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 5 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-8598210-B2 Prolyl hydroxylase inhibitors and methods of use AKEBIA THERAPEUTICS, INC. (US) 2013-12-03 US claimed
US-20130203816-A1 PROLYL HYDROXYLASE INHIBITORS AND METHODS OF USE AKEBIA THERAPEUTICS INC. (US) 2013-08-08 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 (3 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 ALOX5 624/4885CHEK1 3883/4885CHEK2 4502/4885
US-20130203816-A1 PROLYL HYDROXYLASE INHIBITORS AND METHODS OF USE HIF1AN, EGLN3, HIF1A ALOX5 624/4885CHEK1 3883/4885CHEK2 4502/4885
US-20100331303-A1 PROLYL HYDROXYLASE INHIBITORS AND METHODS OF USE HIF1AN, EGLN3, HIF1A ALOX5 624/4885CHEK1 3883/4885CHEK2 4502/4885

“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.