SCHEMBL2094085

SCHEMBL2094085

[O]c1cc(N2CCC(Oc3cccc(F)c3)CC2)nc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.44
SCN9A Q15858 1/20 0.41
HTR2C P28335 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
SCD O00767 1/20 0.39
CNR1 P21554 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GBA1 P04062 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
P2RX7 Q99572 1/20 0.38
DCK P27707 1/20 0.38
HRH3 Q9Y5N1 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
SCHEMBL2093151 0.90 KDM4E (0.47) CHRM4KMT2AGBA1KDM4EGAA
SCHEMBL2094088 0.87 CHRM4 (0.44) CHRM4SCN9AHTR2CSLC6A2SLC6A4
SCHEMBL2090493 0.82 EPHX2 (0.45) SCN9AKMT2AKDM4EGAAHRH3
SCHEMBL2093628 0.78 GRIN1 (0.43) MEN1KMT2AKDM4E
SCHEMBL2091773 0.78 CHRM4 (0.42) CHRM4SCN9AKDM4EHRH3
SCHEMBL28128709 0.76 F10 (0.48) CHRM4SLC6A2SLC6A4SLC6A3MEN1
SCHEMBL2093153 0.76 KDM4E (0.47) KMT2AGBA1KDM4EGAAHRH3
SCHEMBL12100229 0.75 CHRM4 (0.46) CHRM4SCN9AKMT2AKDM4EGAA
SCHEMBL2091045 0.75 CTSV (0.43) MEN1KMT2AGBA1KDM4EGAA
SCHEMBL1807853 0.72 ALOX15 (0.49) CNR1MEN1KMT2AKDM4EHRH3

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 CHRM4 1284/4885SCN9A 3557/4885HTR2C 2157/4885

“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.