SCHEMBL2089923

SCHEMBL2089923

[CH]c1ccc(OC)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
NPC1 O15118 2/20 0.43
ALDH1A1 P00352 5/20 0.43
MAPT P10636 4/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ACHE P22303 1/20 0.43
TTR P02766 1/20 0.42
NPSR1 Q6W5P4 3/20 0.42
HPGD P15428 2/20 0.42
MAPK1 P28482 2/20 0.42
POLB P06746 2/20 0.42
USP2 O75604 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX12 P18054 1/20 0.42
CYP2C19 P33261 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
SCHEMBL2089921 1.00 GAA (0.43) GAANPC1ALDH1A1MAPTMEN1
SCHEMBL497561 0.78 CA2 (0.54) ALDH1A1ACHEMAPK1POLBCYP2C9
SCHEMBL497560 0.78 CA2 (0.54) ALDH1A1ACHEMAPK1POLBCYP2C9
SCHEMBL29687129 0.76 TTR (0.62) GAANPC1ALDH1A1MAPTMEN1
SCHEMBL2811536 0.76 CA2 (0.41) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL196490 0.76 TTR (0.62) GAANPC1ALDH1A1MAPTMEN1
SCHEMBL12326172 0.76 PTGS2 (0.53) GAANPC1ALDH1A1MEN1KMT2A
SCHEMBL197088 0.74 CA12 (0.62) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL29587997 0.74 CA12 (0.62) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL9463 0.74 ACHE (0.70) GAANPC1ALDH1A1MAPTMEN1

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 6 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
US-5962314-A CERTAIN CELLS IN THE BODY RESPOND NOT ONLY TO CHEMICAL SIGNALS, BUT ALSO TO IONS SUCH AS EXTRACELLULAR CALCIUM IONS (CA.SUP.2+). THE INVENTION RELATES TO NUCLEIC ACIDS ENCODING SUCH RECEPTORS AND CELLS CONTAINING SUCH NUCLEIC ACIDS. NPS PHARMACEUTICALS, INC. (US) 1999-10-05 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 GAA 3982/4885NPC1 3130/4885ALDH1A1 412/4885

“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.