Sugi Predict

Sugi Predict / Compounds / SCHEMBL2091870

SCHEMBL2091870

SCHEMBL2091870

O=CCC=Cc1ccc(Br)c(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 4/20 0.41
▸ MAPT P10636 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ XBP1 P17861 1/20 0.35
▸ NOTUM Q6P988 2/20 0.35
▸ KIF11 P52732 1/20 0.34
▸ HTT P42858 2/20 0.34
▸ EPHX1 P07099 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ TAS2R14 Q9NYV8 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ PDE3B Q13370 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ ALKBH5 Q6P6C2 1/20 0.33
▸ AKR1C3 P42330 1/20 0.32
▸ AKR1C2 P52895 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
SCHEMBL2096401 0.85 APP (0.42) APPMAPTMEN1KMT2ANPSR1
SCHEMBL2096398 0.85 APP (0.42) APPMAPTMEN1KMT2ANPSR1
SCHEMBL2091864 0.81 APP (0.40) APPMAPTMEN1KMT2ANPSR1
SCHEMBL2091867 0.81 APP (0.40) APPMAPTMEN1KMT2ANPSR1
SCHEMBL31395130 0.80 APP (0.46) APPMAPTMEN1KMT2ANPSR1
SCHEMBL28500278 0.79 APP (0.38) APPMAPTMEN1KMT2ANPSR1
SCHEMBL2096636 0.79 APP (0.38) APPMAPTMEN1KMT2ANPSR1
SCHEMBL28705994 0.79 APP (0.38) APPMAPTMEN1KMT2ANPSR1
SCHEMBL2096633 0.79 APP (0.38) APPMAPTMEN1KMT2ANPSR1
SCHEMBL5546389 0.79 KIF11 (0.47) MAPTMEN1KMT2ANPSR1LMNA

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 APP 4602/4885MAPT 4299/4885MEN1 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.