SCHEMBL2094716

SCHEMBL2094716

CCCCOC(=O)[N]Cc1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
ALDH1A1 P00352 4/20 0.44
TDP1 Q9NUW8 3/20 0.44
HPGD P15428 1/20 0.43
TSHR P16473 5/20 0.43
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MMP2 P08253 1/20 0.41
CA9 Q16790 1/20 0.41
PPARA Q07869 1/20 0.40
ESR1 P03372 2/20 0.40
LMNA P02545 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
MAPK1 P28482 2/20 0.40
CYP2D6 P10635 1/20 0.40
NR1H2 P55055 1/20 0.40
RNASEL Q05823 1/20 0.40

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
SCHEMBL2096441 0.80 POLB (0.48) SMN1; SMN2POLBL3MBTL1ALDH1A1TDP1
SCHEMBL2087778 0.75 HRH2 (0.43) POLBALDH1A1TSHRLMNAMAPK1
SCHEMBL28968060 0.74 TDP1 (0.53) SMN1; SMN2L3MBTL1ALDH1A1TDP1HPGD
SCHEMBL2098148 0.73 ALDH1A1 (0.39) ALDH1A1TSHRPPARALMNAMAPK1
SCHEMBL2094718 0.73 ALDH1A1 (0.61) SMN1; SMN2POLBL3MBTL1ALDH1A1HPGD
SCHEMBL6057147 0.72 ESR1 (0.72) SMN1; SMN2POLBL3MBTL1ALDH1A1TDP1
SCHEMBL14116415 0.72 PPARA (0.48) SMN1; SMN2POLBL3MBTL1ALDH1A1TDP1
SCHEMBL6246264 0.71 MEN1 (0.44) SMN1; SMN2POLBL3MBTL1ALDH1A1LMNA
SCHEMBL5710171 0.71 L3MBTL1 (0.65) POLBL3MBTL1ALDH1A1TDP1TSHR
SCHEMBL5709981 0.71 L3MBTL1 (0.65) POLBL3MBTL1ALDH1A1TDP1TSHR

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 SMN1; SMN2 3787/4885POLB 757/4885L3MBTL1 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.