SCHEMBL1627286

SCHEMBL1627286

N#CC1(c2cccc(F)c2F)CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
HDAC4 P56524 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
BDKRB1 P46663 1/20 0.37
HDAC6 Q9UBN7 2/20 0.34
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE1C Q14123 1/20 0.33
HCRTR2 O43614 2/20 0.32
HCRTR1 O43613 1/20 0.32
LMNA P02545 2/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL4006359 0.88 ALDH1A1 (0.37) ALDH1A1HDAC4KDM4EHPGDHSD17B10
SCHEMBL3868254 0.88 HDAC4 (0.42) ALDH1A1HDAC4HPGDBDKRB1HDAC6
SCHEMBL333924 0.85 MAP3K12 (0.32) MAP3K12
SCHEMBL18742752 0.85 HDAC4 (0.44) ALDH1A1HDAC4HPGDBDKRB1HDAC6
SCHEMBL333096 0.84 PDE1A (0.32) ALDH1A1HDAC4KDM4EHPGDHSD17B10
SCHEMBL5138689 0.83 HDAC4 (0.46) ALDH1A1HDAC4HPGDBDKRB1HDAC6
SCHEMBL28677184 0.83 ALDH1A1 (0.41) ALDH1A1HDAC4KDM4EHPGDHSD17B10
SCHEMBL26240501 0.81 HDAC4 (0.38) ALDH1A1HDAC4BDKRB1HDAC6LMNA
Hydrochloric Acid SCHEMBL25389655 0.79 HDAC4 (0.37) ALDH1A1HDAC4BDKRB1HDAC6LMNA
SCHEMBL28689628 0.75 CNR1 (0.39) HDAC6PDE1APDE1BPDE1CMAP3K12

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7928139-B2 Naphthalenone compounds exhibiting prolyl hydroxylase inhibitory activity, compositions, and uses thereof AMGEN INC. (US) 2011-04-19 US disclosed
US-20100048572-A1 NAPHTHALENONE COMPOUNDS EXHIBITING PROLYL HYDROXYLASE INHIBITORY ACTIVITY, COMPOSITIONS, AND USES THEREOF AMGEN INC. (US) 2010-02-25 US disclosed
US-7635715-B2 Naphthalenone compounds exhibiting prolyl hydroxylase inhibitory activity, compositions, and uses thereof AMGEN INC. (US) 2009-12-22 US disclosed
EP-2111399-A2 NAPHTHALENONE COMPOUNDS EXHIBITING PROLYL HYDROXYLASE INHIBITORY ACTIVITY, COMPOSITIONS, AND USES THEREOF Amgen Inc. (US) 2009-10-28 EP disclosed
US-20090093483-A1 Naphthalenone compounds exhibiting prolyl hydroxylase inhibitory activity, compositions, and uses thereof AMGEN INC. (US) 2009-04-09 US disclosed
WO-2008076427-A2 NAPHTHALENONE COMPOUNDS EXHIBITING PROLYL HYDROXYLASE INHIBITORY ACTIVITY, COMPOSITIONS, AND USES THEREOF AMGEN INC. (US) 2008-06-26 WO disclosed

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-20100048572-A1 NAPHTHALENONE COMPOUNDS EXHIBITING PROLYL HYDROXYLASE INHIBITORY ACTIVITY, COMPOSITIONS, AND USES THEREOF EGLN2, EGLN3, HIF1AN ALDH1A1 128/4885HDAC4 545/4885KDM4E 977/4885
US-20090093483-A1 Naphthalenone compounds exhibiting prolyl hydroxylase inhibitory activity, compositions, and uses thereof EGLN2, EGLN3, HIF1AN ALDH1A1 128/4885HDAC4 545/4885KDM4E 977/4885

“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.