SCHEMBL2099787

SCHEMBL2099787

[CH2]Oc1ccc(CCC(C)=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
LMNA P02545 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
KDM4E B2RXH2 1/20 0.56
NPC1 O15118 1/20 0.56
TP53 P04637 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
MAPT P10636 1/20 0.56
MAOA P21397 1/20 0.56
SLC6A2 P23975 1/20 0.56
RAB9A P51151 1/20 0.56
SLC6A3 Q01959 1/20 0.56
F2RL1 P55085 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.45
FFAR1 O14842 2/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
POLB P06746 1/20 0.42
NFKB1 P19838 1/20 0.42

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
SCHEMBL10912165 0.83 ALDH1A1 (0.77) ALDH1A1LMNASMN1; SMN2KDM4ENPC1
SCHEMBL1334 0.82 SMN1; SMN2 (0.72) ALDH1A1LMNASMN1; SMN2KDM4ENPC1
SCHEMBL9637308 0.82 FFAR1 (0.65) LMNAL3MBTL1FFAR1
SCHEMBL2468017 0.82 SMN1; SMN2 (0.72) ALDH1A1LMNASMN1; SMN2KDM4ENPC1
SCHEMBL2097631 0.81 ALDH1A1 (0.53) ALDH1A1LMNASMN1; SMN2KDM4ENPC1
SCHEMBL17976871 0.81 ALDH1A1 (0.57) ALDH1A1LMNASMN1; SMN2KDM4ENPC1
SCHEMBL404104 0.81 ALDH1A1 (0.57) ALDH1A1LMNASMN1; SMN2KDM4ENPC1
SCHEMBL8819093 0.79 SLC5A1 (0.59) ALDH1A1LMNASMN1; SMN2KDM4ENPC1
SCHEMBL9906556 0.79 THRB (0.71) ALDH1A1LMNASMN1; SMN2KDM4ENPC1
SCHEMBL10672259 0.78 FFAR1 (0.74) ALDH1A1LMNASMN1; SMN2KDM4ENPC1

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 5 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
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

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 ALDH1A1 412/4885LMNA 4594/4885SMN1; SMN2 3787/4885

“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.