SCHEMBL2093224

SCHEMBL2093224

FC(F)(F)c1cc([S])ccc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 3/20 0.43
▸ EPHX1 P07099 2/20 0.42
▸ MAPT P10636 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ XBP1 P17861 1/20 0.41
▸ HTT P42858 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ TAS2R14 Q9NYV8 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PDE3B Q13370 1/20 0.37
▸ PDE3A Q14432 1/20 0.37
▸ ALKBH5 Q6P6C2 1/20 0.37
▸ TMPRSS4 Q9NRS4 1/20 0.36
▸ IDO1 P14902 1/20 0.36
▸ DHODH Q02127 1/20 0.33
▸ GLA P06280 1/20 0.32

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
SCHEMBL31373428 0.78 KDM1A (0.48) NOTUMEPHX1MAPTMEN1KMT2A
SCHEMBL31373429 0.78 KDM1A (0.48) NOTUMEPHX1MAPTMEN1KMT2A
SCHEMBL394303 0.78 KDM1A (0.48) NOTUMEPHX1MAPTMEN1KMT2A
SCHEMBL29572164 0.76 IDO1 (0.46) NOTUMEPHX1MAPTMEN1KMT2A
SCHEMBL29632676 0.76 MAPT (0.53) NOTUMEPHX1MAPTMEN1KMT2A
SCHEMBL496276 0.76 MAPT (0.53) NOTUMEPHX1MAPTMEN1KMT2A
SCHEMBL624437 0.76 IDO1 (0.46) NOTUMEPHX1MAPTMEN1KMT2A
SCHEMBL177740 0.74 ESR2 (0.45) NOTUMEPHX1MAPTMEN1KMT2A
SCHEMBL2091537 0.74 NOTUM (0.42) NOTUMEPHX1MAPTMEN1KMT2A
SCHEMBL169128 0.74 MAPT (0.53) NOTUMEPHX1MAPTMEN1KMT2A

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 NOTUM 4043/4885EPHX1 4212/4885MAPT 4299/4885

“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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