SCHEMBL2096844

SCHEMBL2096844

[CH2]OC(=O)Nc1cccc(C(C)=O)c1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.65
HPGD P15428 2/20 0.63
TDP1 Q9NUW8 1/20 0.63
KMT2A Q03164 4/20 0.60
RAB9A P51151 4/20 0.60
MEN1 O00255 3/20 0.60
LMNA P02545 1/20 0.60
ALDH1A1 P00352 5/20 0.57
NPC1 O15118 2/20 0.55
MAPK1 P28482 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
CREBBP Q92793 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
POLB P06746 1/20 0.53
MAPT P10636 1/20 0.52

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
SCHEMBL2096845 0.86 CYP1A2 (0.69) CYP1A2HPGDTDP1KMT2ARAB9A
SCHEMBL2095611 0.81 HSD17B10 (0.62) CYP1A2HPGDKMT2ARAB9AMEN1
SCHEMBL2094516 0.80 MAPT (0.55) KMT2ARAB9AMEN1LMNAALDH1A1
SCHEMBL5337975 0.80 CYP1A2 (0.61) CYP1A2HPGDTDP1KMT2ARAB9A
SCHEMBL29867230 0.80 CYP1A2 (0.61) CYP1A2HPGDTDP1KMT2ARAB9A
SCHEMBL10747742 0.80 HPGD (0.78) CYP1A2HPGDKMT2ARAB9AMEN1
SCHEMBL4964696 0.80 HPGD (0.68) CYP1A2HPGDTDP1KMT2ARAB9A
SCHEMBL474709 0.80 KMT2A (0.70) CYP1A2TDP1KMT2ARAB9AMEN1
SCHEMBL5340030 0.80 MEN1 (0.89) TDP1KMT2ARAB9AMEN1ALDH1A1
SCHEMBL4102809 0.78 KMT2A (0.73) CYP1A2HPGDTDP1KMT2ARAB9A

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 11 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
EP-1289940-A2 EXCITATORY AMINO ACID RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
WO-2001092213-A2 EXCITATORY AMINO ACID RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2001-12-06 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-20040102521-A1 Excitatory amino acid receptor modulators GRM1, GRM2, GRIN1 CYP1A2 2415/4885HPGD 3529/4885TDP1 3393/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 CYP1A2 420/4885HPGD 1951/4885TDP1 4548/4885

“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.