SCHEMBL2094864

SCHEMBL2094864

COc1cccc(NC2CC[N]CC2)c1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.42
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PABPC1 P11940 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 2/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
BRD4 O60885 1/20 0.38
DRD2 P14416 1/20 0.37
NFE2L2 Q16236 1/20 0.36
EZH2 Q15910 3/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL2090904 0.86 RAB9A (0.49) RAB9ANPC1HPGDSMN1; SMN2TSHR
SCHEMBL4726889 0.82 EGFR (0.43) ROCK2RAB9ANPC1SMN1; SMN2PABPC1
SCHEMBL27666323 0.82 CYP1A2 (0.47) ROCK2RAB9ANPC1PABPC1L3MBTL1
SCHEMBL1471207 0.74 USP2 (0.47) RAB9ANPC1SMN1; SMN2PABPC1L3MBTL1
SCHEMBL5537866 0.73 L3MBTL1 (0.53) ROCK2RAB9ANPC1SMN1; SMN2PABPC1
SCHEMBL5537861 0.73 L3MBTL1 (0.53) ROCK2RAB9ANPC1PABPC1L3MBTL1
SCHEMBL1645759 0.73 DRD2 (0.52) RAB9ANPC1SMN1; SMN2TSHRMAPT
SCHEMBL5584541 0.73 HTR2C (0.46) SMN1; SMN2TSHRMAPTALDH1A1GAA
SCHEMBL5872192 0.73 HTR2A (0.61) SMN1; SMN2PABPC1TP53MAPTALDH1A1
Hydrochloric Acid SCHEMBL1471478 0.72 USP2 (0.49) RAB9ASMN1; SMN2L3MBTL1TSHRMAPT

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 ROCK2 2395/4885RAB9A 3153/4885NPC1 3130/4885

“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.