SCHEMBL2090450

SCHEMBL2090450

[CH2]CCOC(=O)Nc1ccccc1C(F)(F)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.39
CYP2C19 P33261 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
POLB P06746 4/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL2097517 0.89 POLB (0.40) SMN1; SMN2HTTPOLBLMNAGAA
SCHEMBL2094836 0.81 POLB (0.43) SMN1; SMN2HTTPOLBLMNAGAA
SCHEMBL2095090 0.80 CYP1A2 (0.40) CYP1A2CYP2C19HTTPOLBLMNA
SCHEMBL2094839 0.79 LMNA (0.47) SMN1; SMN2POLBLMNAGAAKMT2A
SCHEMBL5547412 0.78 GAA (0.54) CYP1A2CYP2C19POLBLMNAGAA
SCHEMBL5546374 0.78 POLB (0.50) CYP1A2CYP2C19SMN1; SMN2HTTPOLB
SCHEMBL5540154 0.76 POLB (0.43) SMN1; SMN2POLBLMNAGAAKMT2A
SCHEMBL2099201 0.75 L3MBTL1 (0.43) HTTKMT2AMEN1HPGDMAPK1
SCHEMBL2090623 0.75 SMN1; SMN2 (0.59) CYP1A2CYP2C19SMN1; SMN2HTTKMT2A
SCHEMBL21059170 0.74 KMT2A (0.56) CYP1A2CYP2C19SMN1; SMN2HTTPOLB

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 420/4885CYP2C19 1894/4885SMN1; 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.