SCHEMBL4139816

SCHEMBL4139816

CC(C)(C)OC(=O)N1CCCC(c2nc(-c3cccs3)no2)C1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.69
RAB9A P51151 3/20 0.69
ALDH1A1 P00352 4/20 0.68
TSHR P16473 3/20 0.68
LMNA P02545 3/20 0.68
POLB P06746 1/20 0.67
NPC1 O15118 2/20 0.67
PKM P14618 1/20 0.67
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
ATM Q13315 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
GAA P10253 2/20 0.65
MAPK1 P28482 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
CYP1A2 P05177 1/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2D6 P10635 1/20 0.65
CYP2C9 P11712 1/20 0.65
CYP2C19 P33261 1/20 0.65

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
SCHEMBL4139808 1.00 GRM5 (0.69) GRM5RAB9AALDH1A1TSHRLMNA
SCHEMBL4415549 0.89 LMNA (0.64) GRM5RAB9AALDH1A1TSHRLMNA
SCHEMBL2030939 0.85 GRM5 (0.79) GRM5RAB9AALDH1A1TSHRLMNA
SCHEMBL12580577 0.84 GRM5 (0.66) GRM5RAB9AALDH1A1TSHRLMNA
SCHEMBL193158 0.84 HSD11B1 (0.70) ALDH1A1GAA
SCHEMBL193157 0.84 HSD11B1 (0.70) ALDH1A1GAA
SCHEMBL192619 0.83 GPR119 (0.59) GRM5ALDH1A1TSHRLMNAMEN1
SCHEMBL192618 0.83 GPR119 (0.59) GRM5ALDH1A1TSHRLMNAMEN1
SCHEMBL4139823 0.83 HSD11B1 (0.52) GRM5RAB9AALDH1A1TSHRLMNA
SCHEMBL4139826 0.83 HSD11B1 (0.52) GRM5RAB9AALDH1A1TSHRLMNA

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-8338599-B2 Compounds having a potentiating effect on the activity of ethionamide and uses thereof INSTITUT PASTEUR DE LILLE (FR) 2012-12-25 US disclosed
US-8338599-B2 Compounds having a potentiating effect on the activity of ethionamide and uses thereof INSTITUT PASTEUR DE LILLE (FR) 2012-12-25 US disclosed
US-20110136823-A1 COMPOUNDS HAVING A POTENTIATING EFFECT ON THE ACTIVITY OF ETHIONAMIDE AND USES THEREOF INSTITUT PASTEUR DE LILLE (FR) 2011-06-09 US disclosed
US-20110136823-A1 COMPOUNDS HAVING A POTENTIATING EFFECT ON THE ACTIVITY OF ETHIONAMIDE AND USES THEREOF INSTITUT PASTEUR DE LILLE (FR) 2011-06-09 US disclosed
US-20090197897-A1 Novel Oxadiazole Derivatives and Their Use as Positive Allosteric Modulators of Metabotropic Glutamate Receptors ADDEX PHARMA SA (CH) 2009-08-06 US disclosed
EP-1896463-A2 NOVEL OXADIAZOLE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX Pharma S.A. (CH) 2008-03-12 EP disclosed
WO-2006123249-A2 NOVEL OXADIAZOLE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2006-11-23 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-20110136823-A1 COMPOUNDS HAVING A POTENTIATING EFFECT ON THE ACTIVITY OF ETHIONAMIDE AND USES THEREOF EPX, PGLS, ENPEP GRM5 2531/4885RAB9A 2904/4885ALDH1A1 1233/4885
US-20090197897-A1 Novel Oxadiazole Derivatives and Their Use as Positive Allosteric Modulators of Metabotropic Glutamate Receptors GRM5, GRM2, GRM3 GRM5 1/4885RAB9A 2302/4885ALDH1A1 4047/4885

“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.