SCHEMBL2094536

SCHEMBL2094536

[CH2]CCc1nc(-c2cccc(CCCCC)c2)no1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 1/20 0.55
▸ SPHK1 Q9NYA1 6/20 0.53
▸ SPHK2 Q9NRA0 5/20 0.53
▸ L3MBTL1 Q9Y468 5/20 0.52
▸ NPC1 O15118 4/20 0.52
▸ RAB9A P51151 4/20 0.52
▸ MAPK1 P28482 3/20 0.52
▸ TDP1 Q9NUW8 3/20 0.52
▸ LMNA P02545 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ ATM Q13315 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ PTPN1 P18031 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.44
▸ TSHR P16473 1/20 0.44

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
SCHEMBL26887342 0.85 SPHK1 (0.57) PPARASPHK1SPHK2L3MBTL1NPC1
Hydrochloric Acid SCHEMBL26690869 0.84 SPHK1 (0.58) PPARASPHK1SPHK2L3MBTL1NPC1
SCHEMBL2097613 0.82 RAB9A (0.53) PPARASPHK1SPHK2L3MBTL1NPC1
SCHEMBL23894440 0.80 L3MBTL1 (0.54) PPARASPHK1SPHK2L3MBTL1NPC1
SCHEMBL26691057 0.79 TSHR (0.52) PPARASPHK1SPHK2L3MBTL1NPC1
SCHEMBL29843966 0.77 L3MBTL1 (0.46) SPHK1SPHK2L3MBTL1NPC1RAB9A
SCHEMBL25297027 0.77 L3MBTL1 (0.46) SPHK1SPHK2L3MBTL1NPC1RAB9A
SCHEMBL31346690 0.76 RAB9A (0.56) PPARAL3MBTL1NPC1RAB9AMAPK1
SCHEMBL31346653 0.76 RAB9A (0.56) PPARASPHK1SPHK2L3MBTL1NPC1
Hydrochloric Acid SCHEMBL31346672 0.75 NPC1 (0.52) PPARASPHK1SPHK2L3MBTL1NPC1

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 PPARA 337/4885SPHK1 4136/4885SPHK2 3278/4885

“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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