SCHEMBL2093005

SCHEMBL2093005

[O]c1cc2ncsc2cc1N1CCC(Oc2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
KCNH2 Q12809 2/20 0.41
FPR2 P25090 2/20 0.39
PROKR1 Q8TCW9 2/20 0.39
SCN9A Q15858 4/20 0.39
NTRK1 P04629 1/20 0.38
NTRK2 Q16620 1/20 0.38
SCN5A Q14524 1/20 0.38
PTGS1 P23219 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
EPHX2 P34913 2/20 0.37
FAAH O00519 1/20 0.37
MMP13 P45452 2/20 0.36
MMP2 P08253 1/20 0.36
MMP12 P39900 1/20 0.36
MMP14 P50281 1/20 0.36
ACACB O00763 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL2088515 0.85 NTRK1 (0.38) NTRK1NTRK2EPHX2TP53MAPT
SCHEMBL5013364 0.81 TSHR (0.50) SCN9ANTRK1NTRK2
SCHEMBL27666269 0.80 PDE3B (0.43) PDE3BPDE3AKCNH2FPR2PROKR1
SCHEMBL2094030 0.73 SCN9A (0.42) PDE3BPDE3AKCNH2SCN9ASCN5A
SCHEMBL2093136 0.72 MMP13 (0.39) PDE3BPDE3AKCNH2FPR2PROKR1
SCHEMBL2096713 0.70 CHRM4 (0.46) PDE3BPDE3AKCNH2FPR2PROKR1
SCHEMBL2093719 0.70 LIPG (0.36) PDE3BPDE3AKCNH2FPR2PROKR1
SCHEMBL2096091 0.70 MMP13 (0.42) KCNH2SCN9ASCN5AMMP13MMP2
SCHEMBL2094000 0.69 KCNH2 (0.46) PDE3BPDE3AKCNH2FPR2PROKR1
SCHEMBL27645213 0.68 DRD2 (0.42) FFAR4CHRM4

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 PDE3B 3406/4885PDE3A 4089/4885KCNH2 3121/4885

“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.