SCHEMBL2097989

SCHEMBL2097989

Oc1ccc2nc(N3CCC(Cc4ccccc4Cl)CC3)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.43
GRIN1 Q05586 2/20 0.42
GRIN2B Q13224 2/20 0.42
PDE10A Q9Y233 4/20 0.41
HTR3A P46098 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ATM Q13315 1/20 0.39
CXCR4 P61073 1/20 0.39
PDE2A O00408 1/20 0.38
PDE1B Q01064 1/20 0.38
PDE4D Q08499 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
SCHEMBL2097987 0.87 HRH3 (0.43) HRH3PDE10AHTR3AHRH4RXFP1
SCHEMBL27666233 0.81 ALDH1A1 (0.40) HRH3PDE10AHTR3AHRH4ALDH1A1
SCHEMBL2090606 0.78 MAPT (0.57) ALDH1A1
SCHEMBL2094714 0.78 SCD (0.47)
SCHEMBL1289488 0.73 HRH3 (0.50) HRH3HTR3AHRH4RXFP1ALDH1A1
SCHEMBL2093358 0.73 HRH3 (0.46) HRH3GRIN1GRIN2BPDE10AHTR3A
SCHEMBL2095812 0.72 MCHR1 (0.43) HRH3GRIN1GRIN2B
SCHEMBL21864973 0.72 PIM1 (0.50) HRH3HTR3AHRH4RXFP1ALDH1A1
SCHEMBL239841 0.69 HRH3 (0.61) HRH3PDE10AHTR3AHRH4PDE2A
SCHEMBL27644559 0.69 KDM4E (0.52) HRH3PDE10AHTR3AHRH4ALDH1A1

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 HRH3 538/4885GRIN1 344/4885GRIN2B 269/4885

“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.