SCHEMBL2090483

SCHEMBL2090483

[CH2]CCC(C)c1cccc(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AGXT P21549 1/20 0.47
▸ PTPN5 P54829 4/20 0.46
▸ CASR P41180 1/20 0.46
▸ KIF11 P52732 2/20 0.45
▸ PSEN1 P49768 1/20 0.42
▸ PSEN2 P49810 1/20 0.42
▸ APH1B Q8WW43 1/20 0.42
▸ NCSTN Q92542 1/20 0.42
▸ APH1A Q96BI3 1/20 0.42
▸ PSENEN Q9NZ42 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ FFAR1 O14842 4/20 0.41
▸ PTGES2 Q9H7Z7 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ DHODH Q02127 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36

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
SCHEMBL27900189 0.85 KIF11 (0.42) PTPN5KIF11PSEN1PSEN2APH1B
SCHEMBL8903918 0.81 CASR (0.42) AGXTPTPN5CASRKIF11PSEN1
SCHEMBL18878437 0.80 PTPN5 (0.66) AGXTPTPN5CASRKIF11PSEN1
SCHEMBL1047311 0.80 PDE2A (0.43) FFAR1ALDH1A1
SCHEMBL2274626 0.77 PTPN5 (0.69) AGXTPTPN5CASRKIF11PSEN1
SCHEMBL2274629 0.77 PTPN5 (0.69) AGXTPTPN5CASRKIF11PSEN1
SCHEMBL2274622 0.77 PTPN5 (0.69) AGXTPTPN5CASRKIF11PSEN1
SCHEMBL3721175 0.77 PTPN5 (0.51) AGXTPTPN5CASRKIF11PSEN1
SCHEMBL27962428 0.77 PTPN5 (0.51) AGXTPTPN5CASRKIF11PSEN1
SCHEMBL6002975 0.76 AGXT (0.43) AGXTPTPN5CASRKIF11PSEN1

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 AGXT 2979/4885PTPN5 1483/4885CASR 826/4885

“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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