SCHEMBL2097229

SCHEMBL2097229

COc1cccc(NC2CCN(c3nc4cc([O])ccc4s3)CC2)c1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
PPARG P37231 1/20 0.44
NCOA2 Q15596 1/20 0.44
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
MAPT P10636 6/20 0.43
SSTR5 P35346 3/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
SCD O00767 1/20 0.39
EZH2 Q15910 2/20 0.39
TP53 P04637 3/20 0.38
NPC1 O15118 2/20 0.38
ROCK2 O75116 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
MGLL Q99685 1/20 0.38
ACLY P53396 1/20 0.38

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
SCHEMBL2091352 0.82 MAPT (0.44) RAB9AMAPTTP53NPC1SMN1; SMN2
SCHEMBL2097143 0.80 RAB9A (0.44) RAB9AALDH1A1TSHRMAPTSCD
SCHEMBL5537861 0.77 L3MBTL1 (0.53) RAB9AALDH1A1MAPTEZH2TP53
SCHEMBL2090772 0.76 NPC1 (0.41) RAB9AALDH1A1TSHRMAPTSCD
SCHEMBL2097196 0.75 KDM4E (0.46) RAB9AALDH1A1TSHRMAPTSCD
SCHEMBL2096658 0.75 SCN4A (0.45) RAB9ASCDNPC1ROCK2ACLY
SCHEMBL2091424 0.75 RAB9A (0.53) RAB9AALDH1A1TSHRPPARGNCOA2
SCHEMBL2093658 0.74 SMN1; SMN2 (0.44) RAB9AALDH1A1MAPTTP53NPC1
SCHEMBL2089502 0.74 MAPT (0.51) RAB9AALDH1A1TSHRMAPTHCRTR1
SCHEMBL2091164 0.74 ACLY (0.46) RAB9AMAPTNPC1SMN1; SMN2ACLY

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 RAB9A 3153/4885ALDH1A1 412/4885TSHR 162/4885

“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.