SCHEMBL5361579

SCHEMBL5361579

CN(C(=O)Nc1ccc2ccccc2c1)c1cccc(-c2ccc(N(C)c3cccc(C(=O)O)c3)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NPC1 O15118 6/20 0.43
RAB9A P51151 6/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
AKR1C3 P42330 1/20 0.43
PNPLA2 Q96AD5 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
PLAU P00749 3/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SENP1 Q9P0U3 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL5366322 0.80 FTO (0.47) KDM4ELMNAGAAMAPTMAPK1
SCHEMBL6255385 0.79 NR1H4 (0.48) KDM4ELMNAGAAMAPTMAPK1
SCHEMBL2083890 0.79 FFAR1 (0.50) KDM4ELMNAGAAMAPTMAPK1
SCHEMBL2087031 0.79 KDM4E (0.45) KDM4ELMNAGAAMAPTMAPK1
SCHEMBL2087033 0.79 KDM4E (0.45) KDM4ELMNAGAAMAPTMAPK1
SCHEMBL3439123 0.76 MME (0.45) KDM4ELMNAGAAMAPTMAPK1
SCHEMBL3439142 0.75 MME (0.44) KDM4ELMNAGAAMAPTMAPK1
SCHEMBL5365602 0.75 ROCK2 (0.44) KDM4ELMNAGAAMAPTMAPK1
SCHEMBL4213109 0.74 KDM4E (0.42) KDM4ELMNAGAAMAPTMAPK1
SCHEMBL4213118 0.74 KDM4E (0.42) KDM4ELMNAGAAMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7307078-B2 Polycyclic compounds which modulate PPARγ type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-12-11 US claimed
US-7125869-B2 Polycyclic compounds which modulate PPARγ type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2006-10-24 US claimed
US-20060009484-A1 Novel polycyclic compounds which modulate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2006-01-12 US claimed
US-7307078-B2 Polycyclic compounds which modulate PPARγ type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-12-11 US disclosed
US-20070093487-A1 2-[3'-({[6-(2-Methoxyethoxymethoxy)naphthalene-2-carbonyl]methylamino}methyl)biphenyl-4-ylamino]methyl benzoate; dermatology, cardiovascular diseases, immune diseases and/or diseases associated with lipid metabolism, cosmetics GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-04-26 US disclosed
US-7125869-B2 Polycyclic compounds which modulate PPARγ type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2006-10-24 US disclosed
US-20060009484-A1 Novel polycyclic compounds which modulate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2006-01-12 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 (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-20070093487-A1 2-[3'-({[6-(2-Methoxyethoxymethoxy)naphthalene-2-carbonyl]methylamino}methyl)biphenyl-4-ylamino]methyl benzoate; dermatology, cardiovascular diseases, immune diseases and/or diseases associated with lipid metabolism, cosmetics MITF, AHR, PAH KDM4E 29/4885LMNA 1616/4885GAA 888/4885
US-20060009484-A1 Novel polycyclic compounds which modulate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARD, PPARA KDM4E 3683/4885LMNA 2446/4885GAA 1500/4885

“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.