SCHEMBL2097220

SCHEMBL2097220

[CH2]COc1ccc(-n2cncn2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.67
CYP2D6 P10635 1/20 0.67
CYP2C9 P11712 1/20 0.67
CYP2C19 P33261 1/20 0.67
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
GRM2 Q14416 1/20 0.44
PPARD Q03181 1/20 0.42
CYP2A6 P11509 1/20 0.42
MAPT P10636 2/20 0.42
HSP90AA1 P07900 1/20 0.42
HTT P42858 1/20 0.42
FBP1 P09467 1/20 0.41
NR2F2 P24468 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 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
SCHEMBL13985747 0.83 CYP1A2 (0.77) CYP1A2CYP2D6CYP2C9CYP2C19SMN1; SMN2
SCHEMBL2095205 0.80 CYP1A2 (0.58) CYP1A2CYP2D6CYP2C9CYP2C19SMN1; SMN2
SCHEMBL13481252 0.80 CYP2D6 (0.88) CYP1A2CYP2D6CYP2C9CYP2C19SMN1; SMN2
SCHEMBL10835520 0.80 CYP1A2 (0.77) CYP1A2CYP2D6CYP2C9CYP2C19SMN1; SMN2
SCHEMBL14863614 0.80 CYP1A2 (0.72) CYP1A2CYP2D6CYP2C9CYP2C19SMN1; SMN2
SCHEMBL14129885 0.80 CYP2D6 (1.00) CYP1A2CYP2D6CYP2C9CYP2C19SMN1; SMN2
SCHEMBL2608845 0.79 CYP2C9 (0.66) CYP1A2CYP2D6CYP2C9CYP2C19SMN1; SMN2
SCHEMBL4816269 0.79 CYP1A2 (0.61) CYP1A2CYP2D6CYP2C9CYP2C19SMN1; SMN2
SCHEMBL6869977 0.77 SMN1; SMN2 (0.55) CYP1A2CYP2D6CYP2C9CYP2C19SMN1; SMN2
SCHEMBL31530203 0.76 CYP1A2 (0.58) CYP1A2CYP2D6CYP2C9CYP2C19SMN1; SMN2

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 CYP1A2 420/4885CYP2D6 743/4885CYP2C9 2206/4885

“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.