SCHEMBL195968

SCHEMBL195968

O=C(O)N(c1ccccc1)c1ccccc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLQ O75417 4/20 0.45
NPSR1 Q6W5P4 2/20 0.45
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
GAA P10253 2/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 3/20 0.39
ALDH1A1 P00352 3/20 0.39
NPC1 O15118 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
NFKB1 P19838 1/20 0.39
HPGD P15428 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ATM Q13315 1/20 0.38
PPARG P37231 1/20 0.38
CNR2 P34972 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
SCHEMBL236493 0.88 POLQ (0.38) POLQNPSR1SLC6A2SLC6A4SLC6A3
SCHEMBL2096212 0.88 POLQ (0.44) POLQNPSR1SLC6A2SLC6A4SLC6A3
SCHEMBL2583273 0.86 POLQ (0.47) POLQNPSR1SLC6A2SLC6A4SLC6A3
SCHEMBL236492 0.83 ALDH1A1 (0.46) GAALMNAPOLBALDH1A1NPC1
SCHEMBL3793278 0.82 POLQ (0.40) POLQNPSR1SLC6A2SLC6A4SLC6A3
SCHEMBL26695410 0.82 NPSR1 (0.45) NPSR1POLBALDH1A1NPC1HTT
SCHEMBL29278841 0.79 ALDH1A1 (0.40) POLQNPSR1SLC6A2SLC6A4SLC6A3
SCHEMBL2090016 0.79 POLQ (0.41) POLQNPSR1SLC6A2SLC6A4SLC6A3
SCHEMBL5331837 0.78 LMNA (0.42) POLQGAALMNAPOLBALDH1A1
SCHEMBL2088432 0.76 POLQ (0.50) POLQNPSR1GAALMNAALDH1A1

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
US-20120053171-A1 Nitrogen-Containing Fused Heterocyclic Compounds and Their use as Beta Amyloid Production Inhibitors EISAI R&D MANAGEMENT CO., LTD., (JP) 2012-03-01 US disclosed
EP-2401276-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS Eisai R&D Management Co., Ltd. (JP) 2012-01-04 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 POLQ 2297/4885NPSR1 202/4885SLC6A2 3591/4885
US-20120053171-A1 Nitrogen-Containing Fused Heterocyclic Compounds and Their use as Beta Amyloid Production Inhibitors BACE1, APP, PSEN1 POLQ 2406/4885NPSR1 1096/4885SLC6A2 669/4885

“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.