SCHEMBL2098115

SCHEMBL2098115

FC(F)(F)c1ccc(-c2co[c]n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.44
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HSD11B1 P28845 1/20 0.37
NOTUM Q6P988 1/20 0.37
LTA4H P09960 1/20 0.36
MAOB P27338 2/20 0.36
KDM1A O60341 1/20 0.36
TOP1 P11387 1/20 0.36
NISCH Q9Y2I1 1/20 0.35
GFER P55789 1/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35
CASP1 P29466 1/20 0.35
MKNK1 Q9BUB5 1/20 0.34

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
SCHEMBL2752070 0.81 KDM1A (0.35) NOTUMKDM1A
SCHEMBL17028965 0.80 IDO1 (0.49) KDM4ENOTUMMAOBKDM1ARAB9A
SCHEMBL2089433 0.79 NPC1 (0.39) KDM4EMEN1KMT2AL3MBTL1NOTUM
SCHEMBL2751446 0.77 NOTUM (0.47) KIF11NOTUM
SCHEMBL2752818 0.75 ALOX5AP (0.41) POLB
SCHEMBL2751339 0.75 CES2 (0.37) NOTUMKDM1A
SCHEMBL2096790 0.75 NOTUM (0.38) KDM4ENOTUMLTA4HNPC1RAB9A
SCHEMBL2092720 0.75 ENPP3 (0.46) KDM4EMEN1KMT2AL3MBTL1NOTUM
SCHEMBL102449 0.74 RAB9A (0.41) MEN1KMT2AL3MBTL1NOTUMNPC1
SCHEMBL2751044 0.70 ALDH1A1 (0.41) KDM4EMEN1KMT2ANOTUMMAOB

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 KIF11 3992/4885KDM4E 4578/4885MEN1 4525/4885

“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.