SCHEMBL2093628

SCHEMBL2093628

[O]c1cc(N2CCC(Cc3cccc(F)c3)CC2)nc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.43
GRIN2B Q13224 1/20 0.43
ALDH1A1 P00352 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 1/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
GPR6 P46095 1/20 0.39
MAOB P27338 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
USP2 O75604 1/20 0.39
TLR9 Q9NR96 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL2096492 0.90 TSHR (0.49) GRIN1GRIN2BALDH1A1L3MBTL1TSHR
SCHEMBL2093631 0.87 GRIN1 (0.48) GRIN1GRIN2BALDH1A1L3MBTL1TSHR
SCHEMBL27645130 0.82 PDE10A (0.51) GRIN1GRIN2BALDH1A1HTR1AHTT
SCHEMBL2094085 0.78 CHRM4 (0.44) MEN1KMT2AKDM4E
SCHEMBL2096535 0.78 STAT3 (0.43) MEN1KMT2A
SCHEMBL2096034 0.77 ACHE (0.41) L3MBTL1KDM4E
SCHEMBL7814096 0.76 SLC6A2 (0.55) ALDH1A1TSHRLMNAMAPTHTT
SCHEMBL2096494 0.76 ESR1 (0.54) GRIN1GRIN2BALDH1A1TSHRESR1
SCHEMBL2095360 0.75 HRH4 (0.42) ALDH1A1L3MBTL1TSHRKMT2APOLB
SCHEMBL27644961 0.73 SCD (0.55) ALDH1A1MEN1KMT2AMAPTPOLB

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 GRIN1 344/4885GRIN2B 269/4885ALDH1A1 412/4885

“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.