SCHEMBL2095902

SCHEMBL2095902

[CH2]Nc1ccc(OCCCC)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
LTA4H P09960 4/20 0.52
NR5A1 Q13285 1/20 0.50
PTGES O14684 1/20 0.49
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
FAAH O00519 2/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
TSHR P16473 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL9602387 0.85 NQO1 (0.67) LTA4HTSHRALDH1A1GAA
SCHEMBL49791 0.83 NPC1 (0.58) NPC1RAB9ALTA4HNR5A1PTGES
SCHEMBL31151862 0.83 NPC1 (0.58) NPC1RAB9ALTA4HNR5A1PTGES
SCHEMBL26850 0.82 LTA4H (0.70) NPC1RAB9ALTA4HNR5A1CYP3A4
SCHEMBL2095905 0.81 APP (0.57) NPC1RAB9ALTA4HNR5A1
1-Butyloxy-4-Ethoxybenzene SCHEMBL27940791 0.80 NQO1 (0.67) RAB9ALTA4HNR5A1CYP3A4CYP2D6
1-Butyloxy-4-Ethoxybenzene SCHEMBL14695816 0.80 NQO1 (0.74) RAB9ALTA4HNR5A1CYP3A4CYP2D6
SCHEMBL12468726 0.79 NPC1 (0.54) NPC1RAB9ALTA4HNR5A1PTGES
SCHEMBL14400494 0.79 NPC1 (0.54) NPC1RAB9ALTA4HNR5A1PTGES
SCHEMBL9919783 0.79 RAB9A (0.54) NPC1RAB9ALTA4HNR5A1PTGES

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 NPC1 3130/4885RAB9A 3153/4885LTA4H 3093/4885

“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.