SCHEMBL2092017

SCHEMBL2092017

[CH2]CCCCCOCCCCCc1ccc2ccccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
SIGMAR1 Q99720 3/20 0.47
CYP1A2 P05177 2/20 0.46
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GBA1 P04062 2/20 0.41
UGCG Q16739 2/20 0.41
GBA2 Q9HCG7 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
TPSAB1 Q15661 1/20 0.41
CYP2A6 P11509 1/20 0.41
NAAA Q02083 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
SLC6A2 P23975 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
SLC6A4 P31645 1/20 0.39
HTR7 P34969 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
SCHEMBL8957574 0.92 SIGMAR1 (0.54) HDAC1HDAC8SIGMAR1CYP1A2TDP1
SCHEMBL129049 0.90 SIGMAR1 (0.56) HDAC1HDAC8SIGMAR1CYP1A2CYP2A6
SCHEMBL1610472 0.90 SIGMAR1 (0.56) HDAC1HDAC8SIGMAR1CYP1A2CYP2A6
SCHEMBL1610345 0.90 SIGMAR1 (0.56) HDAC1HDAC8SIGMAR1CYP1A2CYP2A6
SCHEMBL27523237 0.89 SIGMAR1 (0.54) HDAC1HDAC8SIGMAR1CYP1A2CYP2A6
SCHEMBL133399 0.88 SIGMAR1 (0.58) HDAC1HDAC8SIGMAR1CYP1A2CYP2A6
SCHEMBL2090154 0.87 SIGMAR1 (0.50) HDAC1HDAC8SIGMAR1CYP1A2TDP1
SCHEMBL7622737 0.87 GBA1 (0.51) CYP1A2TDP1L3MBTL1GBA1UGCG
SCHEMBL7622461 0.85 GBA1 (0.49) CYP1A2TDP1L3MBTL1GBA1UGCG
SCHEMBL1610204 0.85 SIGMAR1 (0.50) HDAC1HDAC8SIGMAR1CYP1A2CYP2A6

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
CN-100497345-C 2, 3-dihydro-6-nitroimidazolo [2,1-b] oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2009-06-10 CN 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
CN-1878777-A 2,3-dihydro-6-nitroimidazo (2,1-b) oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2006-12-13 CN 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 HDAC1 280/4885HDAC8 1199/4885SIGMAR1 161/4885

“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.