SCHEMBL3514128

SCHEMBL3514128

Cc1c(NCCCCc2ccccc2)cccc1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM6B O15054 2/20 0.59
KDM4C Q9H3R0 2/20 0.59
ASPH Q12797 3/20 0.56
KDM8 Q8N371 3/20 0.56
KDM4E B2RXH2 3/20 0.56
RIOX2 Q8IUF8 2/20 0.56
EGLN1 Q9GZT9 1/20 0.56
HPGD P15428 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
PLK1 P53350 4/20 0.52
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 2/20 0.50
HDAC6 Q9UBN7 2/20 0.49
NPC1 O15118 2/20 0.49
HSD17B10 Q99714 2/20 0.49
MEN1 O00255 1/20 0.49
TRPA1 O75762 1/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL13199682 0.87 KDM6B (0.70) KDM6BKDM4CASPHKDM8KDM4E
SCHEMBL11499132 0.85 KDM6B (0.68) KDM6BKDM4CASPHKDM8KDM4E
SCHEMBL23748664 0.84 CNR2 (0.50) KDM6BKDM4CKDM4EHPGDPLK1
SCHEMBL5136114 0.83 PLK1 (0.51) KDM6BKDM4CHPGDPLK1CYP2C9
SCHEMBL4897624 0.82 KDM6B (0.69) KDM6BKDM4CASPHKDM8KDM4E
SCHEMBL25142879 0.78 ALDH1A1 (0.48) KDM4EHPGDSMN1; SMN2ALDH1A1NPC1
SCHEMBL25142943 0.78 ALDH1A1 (0.48) KDM4EHPGDSMN1; SMN2ALDH1A1NPC1
SCHEMBL14000067 0.78 NPC1 (0.49) KDM4EHPGDSMN1; SMN2KMT2AALDH1A1
SCHEMBL28019372 0.77 PLK1 (0.60) PLK1KMT2AALDH1A1MEN1MAPT
SCHEMBL28019900 0.77 PLK1 (0.60) PLK1KMT2AALDH1A1MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286145-A1 ISOPHTHALAMIDE DERIVATIVES INHIBITING BETA-SECRETASE ACTIVITY COMENTIS, INC. (US) 2010-11-11 US disclosed
US-7504420-B2 Compounds which inhibit beta-secretase activity and methods of use COMENTIS, INC. (US) 2009-03-17 US disclosed
US-20080176939-A1 COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2008-07-24 US disclosed
US-20070117793-A1 Compounds Which Inhibit Beta-Secretase Activity and Methods of Use ZAPAQ, INC. (US) 2007-05-24 US 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 (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-20070117793-A1 Compounds Which Inhibit Beta-Secretase Activity and Methods of Use BACE1, BACE2, APP KDM6B 1776/4885KDM4C 2627/4885ASPH 119/4885
US-20100286145-A1 ISOPHTHALAMIDE DERIVATIVES INHIBITING BETA-SECRETASE ACTIVITY BACE1, BACE2, APP KDM6B 2063/4885KDM4C 2496/4885ASPH 14/4885
US-20080176939-A1 COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF BACE1, BACE2, APP KDM6B 2135/4885KDM4C 2825/4885ASPH 105/4885

“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.