SCHEMBL2090251

SCHEMBL2090251

[CH2]CCc1ccncc1F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 2/20 0.59
▸ KCNH3 Q9ULD8 1/20 0.41
▸ AOC1 P19801 6/20 0.36
▸ AOC3 Q16853 6/20 0.36
▸ NAMPT P43490 1/20 0.33
▸ HTR6 P50406 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ NUDT1 P36639 1/20 0.32
▸ CHRNA7 P36544 1/20 0.31
▸ TAAR1 Q96RJ0 1/20 0.30
▸ CYP2E1 P05181 1/20 0.30
▸ CYP2C8 P10632 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2A6 P11509 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2B6 P20813 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30

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
SCHEMBL2091656 0.85 LOXL2 (0.52) LOXL2KCNH3AOC1AOC3NAMPT
SCHEMBL30824586 0.81 LOXL2 (0.73) LOXL2KCNH3AOC1AOC3HTR6
SCHEMBL27140192 0.81 LOXL2 (0.73) LOXL2KCNH3AOC1AOC3HTR6
SCHEMBL3878756 0.79 LOXL2 (0.59) LOXL2KCNH3AOC1AOC3NAMPT
SCHEMBL10284177 0.79 LOXL2 (0.59) LOXL2KCNH3AOC1AOC3NAMPT
SCHEMBL459017 0.79 LOXL2 (0.59) LOXL2KCNH3AOC1AOC3NAMPT
SCHEMBL21633180 0.76 LOXL2 (0.55) LOXL2KCNH3AOC1AOC3NAMPT
SCHEMBL844011 0.74 — —
SCHEMBL29466769 0.74 — —
SCHEMBL3290073 0.74 — —

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 7 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
CN-100497345-C 2, 3-dihydro-6-nitroimidazolo [2,1-b] oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2009-06-10 — — CN 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
CN-1878777-A 2,3-dihydro-6-nitroimidazo (2,1-b) oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2006-12-13 — — CN 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 LOXL2 3512/4885KCNH3 3353/4885AOC1 1971/4885

“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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