SCHEMBL2091276

SCHEMBL2091276

COC(=O)Nc1cc(OC(F)(F)F)cc(OC(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ SCN10A Q9Y5Y9 1/20 0.42
▸ FAAH O00519 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ TRPA1 O75762 1/20 0.42
▸ HPGD P15428 1/20 0.41
▸ TRPV1 Q8NER1 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL2094767 0.83 NPC1 (0.63) EPHX2NPC1RAB9APOLBFAAH
SCHEMBL515175 0.82 EPHX2 (0.71) EPHX2SMN1; SMN2KMT2AFAAHALDH1A1
SCHEMBL27645234 0.81 EPHX2 (0.50) EPHX2NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL10796201 0.79 KMT2A (0.63) NPC1RAB9ASMN1; SMN2KMT2APOLB
SCHEMBL11656945 0.76 SMN1; SMN2 (0.60) NPC1RAB9ASMN1; SMN2KMT2APOLB
SCHEMBL22082819 0.76 HTR2C (0.47) EPHX2NPC1RAB9AALDH1A1HPGD
SCHEMBL144943 0.73 CYP1A2 (0.58) NPC1RAB9ASMN1; SMN2KMT2APOLB
SCHEMBL2091142 0.72 L3MBTL1 (0.42) EPHX2NPC1RAB9APOLBL3MBTL1
SCHEMBL23213602 0.72 EPHX2 (0.45) EPHX2NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL31417701 0.72 NPC1 (0.47) EPHX2NPC1RAB9ASMN1; SMN2KMT2A

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 EPHX2 3472/4885NPC1 3130/4885RAB9A 3153/4885

“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.

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