SCHEMBL2090895

SCHEMBL2090895

[CH2]OC(=O)Nc1ccccc1C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 1/20 0.49
ALDH1A1 P00352 3/20 0.49
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
POLB P06746 2/20 0.45
GAA P10253 1/20 0.45
THRB P10828 1/20 0.45
ALOX12 P18054 1/20 0.45
LMNA P02545 2/20 0.44
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 3/20 0.40
KDM4E B2RXH2 1/20 0.40
ATM Q13315 1/20 0.40
P2RY1 P47900 2/20 0.39

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
SCHEMBL2090900 0.86 LPAR1 (0.55) LPAR1ALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL10252993 0.83 POLB (0.58) LPAR1ALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL514341 0.83 POLB (0.55) ALDH1A1POLBGAALMNAKMT2A
SCHEMBL8207529 0.82 PLAU (0.47) LPAR1ALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL7223111 0.80 ALDH1A1 (0.59) LPAR1ALDH1A1POLBGAATHRB
SCHEMBL2094836 0.80 POLB (0.43) ALDH1A1POLBGAALMNAKMT2A
SCHEMBL6448297 0.80 ALDH1A1 (0.55) LPAR1ALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL5032627 0.78 GRIN2D (0.60) LPAR1ALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL2093266 0.78 ALDH1A1 (0.58) LPAR1ALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL631133 0.78 ALDH1A1 (0.57) LPAR1ALDH1A1GRIN2DGRIN3BGRIN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 LPAR1 916/4885ALDH1A1 412/4885GRIN2D 263/4885

“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.