SCHEMBL2095121

SCHEMBL2095121

[CH2]CCCc1cncc(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.37
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
TACR1 P25103 2/20 0.31
SLC6A4 P31645 2/20 0.31
KCNH2 Q12809 2/20 0.31
CASP3 P42574 1/20 0.31
CYP2A6 P11509 1/20 0.31
MGMT P16455 1/20 0.30
PTK2 Q05397 1/20 0.30

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
SCHEMBL27885414 0.88 POLB (0.36) POLBHCRTR1HCRTR2HCAR2KDM4E
SCHEMBL188469 0.80 SMN1; SMN2 (0.44) POLBHCRTR1HCRTR2HCAR2KDM4E
SCHEMBL1419365 0.80 CYP2A6 (0.48) POLBHCRTR1HCRTR2HCAR2KDM4E
SCHEMBL14157337 0.79
SCHEMBL1419853 0.78 HRH1 (0.49) CYP2A6
SCHEMBL9744836 0.78 POLB (0.46) POLBHCRTR1HCRTR2KDM4E
SCHEMBL5848405 0.78 L3MBTL1 (0.50) POLBHCRTR1HCRTR2SMN1; SMN2MAPT
SCHEMBL16213390 0.77 KDM4E (0.41) POLBHCRTR1HCRTR2HCAR2KDM4E
SCHEMBL2862361 0.76 IDO1 (0.38)
SCHEMBL18474496 0.76 NOS3 (0.50) HCRTR1HCRTR2SLC6A4

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 7 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
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 POLB 757/4885HCRTR1 185/4885HCRTR2 119/4885

“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.