SCHEMBL906513

SCHEMBL906513

O=C(O)C(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.68
SRD5A2 P31213 1/20 0.59
KMO O15229 5/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 1/20 0.50
MAPT P10636 1/20 0.50
PKM P14618 1/20 0.50
RAB9A P51151 1/20 0.50
HPGD P15428 1/20 0.48
CPT1B Q92523 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL3184435 0.88 TSHR (0.70) TSHRSRD5A2KMOMEN1KMT2A
SCHEMBL11655118 0.85 TSHR (0.61) TSHRSRD5A2KMOMEN1KMT2A
SCHEMBL7608864 0.83 TSHR (0.47) TSHRSRD5A2KDM4ENPC1MAPT
SCHEMBL28814684 0.83 CES2 (0.63) TSHRSRD5A2NPC1RAB9A
SCHEMBL7831951 0.83 HSP90AA1 (0.51) TSHRSRD5A2MEN1KMT2AKDM4E
SCHEMBL728169 0.82 TSHR (0.57) TSHRSRD5A2KMOMEN1KMT2A
SCHEMBL8352471 0.81 TSHR (1.00) TSHRSRD5A2KMOMEN1KMT2A
SCHEMBL371998 0.81 TSHR (1.00) TSHRSRD5A2KMOMEN1KMT2A
SCHEMBL29353637 0.81 TSHR (1.00) TSHRSRD5A2KMOMEN1KMT2A
SCHEMBL15137054 0.81 CES2 (0.52) TSHRMEN1KMT2ANPC1MAPT

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
CN-111662202-B Synthetic method of alpha-ketoamide compound 五邑大学 2022-09-30 CN disclosed
CN-111662202-A Synthetic method of alpha-ketoamide compound 五邑大学 2020-09-15 CN disclosed
US-7893066-B2 N-[2-(6-{[(3,4-dichlorophenyl)methyl]amino}-2-(4-methoxyphenyl)-3-oxo-4-hydropyridino[2,3-b]pyrazin-4-yl)ethyl]acetamide derivatives; antidiabetic agents; abnormal lipid levels, obesity; cardiovascular, skin and metabolic disorders GILEAD PALO ALTO, INC. (US) 2011-02-22 US disclosed
EP-2276748-A1 BICYCLIC NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS FOR USE AS STEAROYL COA DESATURASE INHIBITORS Gilead Sciences, Inc. (US) 2011-01-26 EP disclosed
WO-2009126123-A1 BICYCLIC NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS FOR USE AS STEAROYL COA DESATURASE INHIBITORS CV THERAPEUTICS INC. (US) 2009-10-15 WO disclosed
US-20080255130-A1 N-[2-(6-{[(3,4-dichlorophenyl)methyl]amino}-2-(4-methoxyphenyl)-3-oxo-4-hydropyridino[2,3-b]pyrazin-4-yl)ethyl]acetamide derivatives; antidiabetic agents; abnormal lipid levels, obesity; cardiovascular, skin and metabolic disorders GILEAD PALO ALTO, INC. 2008-10-16 US disclosed
EP-1423119-A4 HETEROBICYCLES FKBP-LIGANDS AGOURON PHARMA (US) 2005-04-13 EP disclosed
EP-1423119-A1 HETEROBICYCLES FKBP-LIGANDS Agouron Pharmaceuticals, Inc. (US) 2004-06-02 EP disclosed
WO-2002089806-A1 HETEROBICYCLES FKBP-LIGANDS AGOURON PHARMACEUTICALS, INC. (US) 2002-11-14 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 (1 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-20080255130-A1 N-[2-(6-{[(3,4-dichlorophenyl)methyl]amino}-2-(4-methoxyphenyl)-3-oxo-4-hydropyridino[2,3-b]pyrazin-4-yl)ethyl]acetamide derivatives; antidiabetic agents; abnormal lipid levels, obesity; cardiovascular, skin and metabolic disorders SCD, SCD5, FASN TSHR 4165/4885SRD5A2 182/4885KMO 591/4885

“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.