SCHEMBL4611029

SCHEMBL4611029

O=C(O)Cc1nc(-c2ccccc2)no1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.68
NOTUM Q6P988 1/20 0.67
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
CYP1A2 P05177 2/20 0.58
CYP2C19 P33261 2/20 0.58
AKR1B1 P15121 1/20 0.57
LMNA P02545 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
TSHR P16473 3/20 0.55
MAPK1 P28482 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
HDAC1 Q13547 2/20 0.55
HDAC2 Q92769 2/20 0.55
HDAC8 Q9BY41 2/20 0.55
FFAR1 O14842 1/20 0.54
MAPT P10636 1/20 0.54

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
SCHEMBL9830088 0.87 NOTUM (0.63) ALDH1A1NOTUMNPC1RAB9AL3MBTL1
SCHEMBL14736736 0.87 NOTUM (0.63) ALDH1A1NOTUMNPC1RAB9AL3MBTL1
SCHEMBL11829447 0.85 MAPT (0.58) ALDH1A1NPC1RAB9AL3MBTL1LMNA
SCHEMBL28449648 0.84 FFAR1 (0.69) ALDH1A1NPC1RAB9AL3MBTL1LMNA
SCHEMBL5330405 0.83 ALDH1A1 (0.83) ALDH1A1NOTUMNPC1RAB9AL3MBTL1
SCHEMBL3756027 0.83 ALDH1A1 (0.58) ALDH1A1NOTUMNPC1RAB9AL3MBTL1
SCHEMBL14736867 0.82 NOTUM (0.56) ALDH1A1NOTUMNPC1RAB9AL3MBTL1
SCHEMBL6325229 0.82 LMNA (0.76) ALDH1A1NPC1RAB9AL3MBTL1LMNA
SCHEMBL562989 0.81 ALDH1A1 (1.00) ALDH1A1NOTUMNPC1RAB9AL3MBTL1
SCHEMBL2089284 0.80 NOTUM (0.68) ALDH1A1NOTUMNPC1RAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765796-B2 Compounds, methods and formulations for the oral delivery of a glucagon-like peptide (GLP-1) compound or a melanocortin-4 receptor (MC4) agonist peptide EMISPHERE TECHNOLOGIES, INC. (US) 2014-07-01 US disclosed
US-20140031287-A1 COMPOUNDS, METHODS AND FORMULATIONS FOR THE ORAL DELIVERY OF A GLUCAGON-LIKE PEPTIDE (GLP-1) COMPOUND OR A MELANOCORTIN-4 RECEPTOR (MIC4) AGONIST PEPTIDE EMISPHERE TECHNOLOGIES, INC. (US) 2014-01-30 US disclosed
US-8552039-B2 Compounds, methods and formulations for the oral delivery of a glucagon-like peptide (GLP-1) compound or a melanocortin-4 receptor (MC4) agonist peptide EMISPHERE TECHNOLOGIES, INC. (US) 2013-10-08 US disclosed
US-20100120876-A1 COMPOUNDS, METHODS AND FORMULATIONS FOR THE ORAL DELIVERY OF A GLUCAGON-LIKE PEPTIDE (GLP-1) COMPOUND OR A MELANOCORTIN-4 RECEPTOR (MC4) AGONIST PEPTIDE EMISPHERE TECHNOLOGIES, INC. (US) 2010-05-13 US disclosed
US-7662771-B2 Compounds, methods and formulations for the oral delivery of a glucagon-like peptide (GLP)-1 compound or a melanocortin-4 receptor (MC4) agonist peptide EMISPHERE TECHNOLOGIES, INC. (US) 2010-02-16 US disclosed
US-20080214448-A1 Compounds, Methods and Formulations for the Oral Delivery of a Glucagon-Like Peptide (Glp)-1 Compound or a Melanocortin-4 Receptor (Mc4) Agonist Peptide EMISPHERE TECHNOLOGIES INC. (US) 2008-09-04 US disclosed
EP-1907353-A2 BIS-AROMATIC AMIDES AND THEIR USES AS SWEET FLAVOR MODIFIERS, TASTANTS AND TASTE ENHANCERS Senomyx Inc. (US) 2008-04-09 EP disclosed
WO-2006138512-A2 BIS-AROMATIC AMIDES AND THEIR USES AS SWEET FLAVOR MODIFIERS, TASTANTS AND TASTE ENHANCERS SENOMYX, INC. (US) 2006-12-28 WO disclosed
US-3994907-A Coumarin derivatives, their preparation and their use as optical brightening agents PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1976-11-30 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-20100120876-A1 COMPOUNDS, METHODS AND FORMULATIONS FOR THE ORAL DELIVERY OF A GLUCAGON-LIKE PEPTIDE (GLP-1) COMPOUND OR A MELANOCORTIN-4 RECEPTOR (MC4) AGONIST PEPTIDE MC4R, GLP1R, MC3R ALDH1A1 4814/4885NOTUM 4153/4885NPC1 1244/4885
US-20080214448-A1 Compounds, Methods and Formulations for the Oral Delivery of a Glucagon-Like Peptide (Glp)-1 Compound or a Melanocortin-4 Receptor (Mc4) Agonist Peptide MC4R, GLP1R, MC3R ALDH1A1 4799/4885NOTUM 4208/4885NPC1 1211/4885
US-20140031287-A1 COMPOUNDS, METHODS AND FORMULATIONS FOR THE ORAL DELIVERY OF A GLUCAGON-LIKE PEPTIDE (GLP-1) COMPOUND OR A MELANOCORTIN-4 RECEPTOR (MIC4) AGONIST PEPTIDE MC4R, GLP1R, MC3R ALDH1A1 4836/4885NOTUM 4420/4885NPC1 936/4885

“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.