SCHEMBL3485538

SCHEMBL3485538

CN(C)C(=O)C(C)(C)Nc1ncc(-c2ccc3c(c2)OCCO3)cc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.44
CHEK1 O14757 1/20 0.42
CHEK2 O96017 1/20 0.42
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SLC22A12 Q96S37 1/20 0.38
VNN1 O95497 1/20 0.37
LATS1 O95835 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
CNR2 P34972 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36

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
SCHEMBL3485024 0.87 CHEK2 (0.48) ALOX5CHEK1CHEK2NPC1RAB9A
SCHEMBL3485382 0.86 ALOX5 (0.45) ALOX5CHEK1CHEK2NPC1RAB9A
SCHEMBL3485534 0.83 ALOX5 (0.42) ALOX5CHEK1CHEK2NPC1RAB9A
SCHEMBL14331191 0.80 EGLN1 (0.44) LATS1LMNACLK1
SCHEMBL3484992 0.80 ALOX5 (0.45) ALOX5CHEK1CHEK2NPC1RAB9A
SCHEMBL3485349 0.79 ALOX5 (0.44) ALOX5CHEK1CHEK2NPC1RAB9A
SCHEMBL3484820 0.78 EGLN1 (0.46) CHEK2LATS1HDAC3HDAC1HDAC2
SCHEMBL1921290 0.77 VEGFA (0.49) ALOX5NPC1RAB9AMEN1KMT2A
SCHEMBL3485355 0.75 GRIN2B (0.48)
SCHEMBL3485262 0.74 SYK (0.51) ALOX5CHEK1CHEK2MAPT

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 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.