SCHEMBL2096563

SCHEMBL2096563

[CH2]OC(=O)Nc1c(C)cccc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.56
ALDH1A1 P00352 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 2/20 0.49
NFKB1 P19838 1/20 0.49
CYP2C19 P33261 1/20 0.49
LMNA P02545 5/20 0.48
POLB P06746 3/20 0.47
MAPT P10636 4/20 0.46
SCN3A Q9NY46 3/20 0.46
MAPK1 P28482 2/20 0.46
ALOX15 P16050 2/20 0.46
SCN1A P35498 2/20 0.46
SCN2A Q99250 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46

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
SCHEMBL2096567 0.83 NLRP3 (0.59) NLRP3ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL2089477 0.80 NLRP3 (0.56) NLRP3ALDH1A1MEN1KMT2ALMNA
SCHEMBL2095319 0.79 NLRP3 (0.59) NLRP3ALDH1A1LMNAPOLBMAPT
SCHEMBL9359788 0.78 NLRP3 (0.78) NLRP3ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL2096115 0.78 NPC1 (0.62) ALDH1A1L3MBTL1KMT2ALMNAPOLB
SCHEMBL24574915 0.77 LCK (0.60) NLRP3ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL28422693 0.77 NLRP3 (0.53) NLRP3ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL2306987 0.77 ALDH1A1 (0.55) NLRP3ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL4333871 0.76 POLB (0.60) NLRP3ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL30051979 0.76 MAPT (0.67) ALDH1A1L3MBTL1MEN1KMT2ACYP1A2

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-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
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 NLRP3 2699/4885ALDH1A1 1907/4885L3MBTL1 2983/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 NLRP3 1659/4885ALDH1A1 412/4885L3MBTL1 2575/4885

“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.