SCHEMBL2090976

SCHEMBL2090976

COc1ccc(OCc2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.62
SMPD1 P17405 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
LMNA P02545 2/20 0.57
ALDH1A1 P00352 1/20 0.57
MAPT P10636 1/20 0.57
ALOX12 P18054 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
ALOX5 P09917 1/20 0.56
MAPK1 P28482 1/20 0.55
HSD17B10 Q99714 1/20 0.55
HTR1A P08908 1/20 0.54
ADRA1D P25100 1/20 0.54
ADRA1A P35348 1/20 0.54
ADRA1B P35368 1/20 0.54
ABCB1 P08183 1/20 0.52
ABCG2 Q9UNQ0 1/20 0.52
PDGFRB P09619 1/20 0.52

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
SCHEMBL18623122 0.93 MAOB (0.62) MAOBLMNAALDH1A1MAPTALOX12
SCHEMBL13791570 0.93 MAOB (0.62) MAOBSMPD1HDAC1HDAC8HDAC6
SCHEMBL13412635 0.89 ALOX5 (0.63) MAOBHDAC6LMNAMAPTL3MBTL1
SCHEMBL12772071 0.86 MAOB (0.62) MAOBHDAC8HTR1AADRA1DADRA1A
SCHEMBL19612478 0.85 ALOX5 (0.65) MAOBLMNAALDH1A1MAPTALOX12
SCHEMBL19612485 0.85 ALOX5 (0.65) MAOBLMNAALDH1A1MAPTALOX12
SCHEMBL30148511 0.85 MAOB (0.60) MAOBSMPD1HDAC1HDAC8HDAC6
SCHEMBL13802180 0.85 MAOB (0.60) MAOBHDAC6LMNAALDH1A1MAPT
SCHEMBL8280802 0.85 MAOB (0.60) MAOBHDAC6LMNAALDH1A1MAPT
SCHEMBL8184228 0.85 MAOB (0.60) MAOBSMPD1HDAC1HDAC8HDAC6

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 MAOB 1654/4885SMPD1 4405/4885HDAC1 280/4885

“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.