SCHEMBL2094345

SCHEMBL2094345

[CH2]OC(=O)Nc1cccc2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.64
HPGD P15428 1/20 0.64
KDM4E B2RXH2 5/20 0.62
GAA P10253 2/20 0.62
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
CYP1A2 P05177 2/20 0.57
CYP2C19 P33261 2/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
MAPT P10636 2/20 0.56
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
GSK3B P49841 1/20 0.51
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51
ALOX15 P16050 1/20 0.51

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
SCHEMBL283066 0.84 ALDH1A1 (0.71) ALDH1A1HPGDKDM4EGAANPC1
SCHEMBL734966 0.81 ALDH1A1 (0.72) ALDH1A1HPGDKDM4EGAANPC1
SCHEMBL4765694 0.79 KDM4E (0.69) ALDH1A1HPGDKDM4EGAANPC1
SCHEMBL3075908 0.79 ALDH1A1 (0.60) ALDH1A1HPGDKDM4EGAANPC1
SCHEMBL1312094 0.79 TRPV1 (0.74) ALDH1A1HPGDKDM4EGAANPC1
SCHEMBL30393282 0.79 KDM4E (0.82) ALDH1A1KDM4EGAANPC1RAB9A
SCHEMBL11291466 0.79 NPC1 (0.79) ALDH1A1HPGDKDM4EGAANPC1
SCHEMBL1276481 0.79 KDM4E (0.82) ALDH1A1KDM4EGAANPC1RAB9A
SCHEMBL799890 0.78 KDM4E (0.64) ALDH1A1HPGDKDM4EGAANPC1
SCHEMBL283472 0.78 ALDH1A1 (1.00) ALDH1A1HPGDKDM4EGAANPC1

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-7081481-B2 Excitatory amino acid receptor modulators ELI LILLY AND COMPANY (US) 2006-07-25 US claimed
US-20040102521-A1 Excitatory amino acid receptor modulators ELI LILLY AND COMPANY 2004-05-27 US claimed
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
US-7081481-B2 Excitatory amino acid receptor modulators ELI LILLY AND COMPANY (US) 2006-07-25 US disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed
US-20040102521-A1 Excitatory amino acid receptor modulators ELI LILLY AND COMPANY 2004-05-27 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-20040102521-A1 Excitatory amino acid receptor modulators GRM1, GRM2, GRIN1 ALDH1A1 1907/4885HPGD 3529/4885KDM4E 1612/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 ALDH1A1 412/4885HPGD 1951/4885KDM4E 4578/4885

“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.