SCHEMBL2094802

SCHEMBL2094802

Cc1ccc(C=CCN2CCC[N]CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.49
ALDH1A1 P00352 4/20 0.43
HRH3 Q9Y5N1 2/20 0.41
ANXA2 P07355 3/20 0.40
S100A10 P60903 3/20 0.40
MAPK1 P28482 3/20 0.38
LMNA P02545 3/20 0.38
GAA P10253 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP3A4 P08684 2/20 0.38
HIF1A Q16665 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL2091228 0.94 ALDH1A1 (0.47) LTA4HALDH1A1ANXA2S100A10MAPK1
SCHEMBL2091230 0.94 ALDH1A1 (0.47) LTA4HALDH1A1ANXA2S100A10MAPK1
SCHEMBL15759176 0.86 LTA4H (0.63) LTA4HALDH1A1HRH3ANXA2S100A10
SCHEMBL2091431 0.85 LTA4H (0.49) LTA4HALDH1A1HRH3MAPK1LMNA
SCHEMBL2097099 0.85 LTA4H (0.49) LTA4HALDH1A1HRH3MAPK1LMNA
SCHEMBL2092607 0.85 MAPK1 (0.47) LTA4HALDH1A1HRH3MAPK1LMNA
SCHEMBL2091603 0.85 LTA4H (0.43) LTA4HALDH1A1HRH3ANXA2S100A10
SCHEMBL14924490 0.84 LTA4H (0.61) LTA4HALDH1A1HRH3ANXA2S100A10
SCHEMBL18085065 0.84 LTA4H (0.61) LTA4HALDH1A1HRH3ANXA2S100A10
SCHEMBL29253444 0.84 LTA4H (0.61) LTA4HALDH1A1HRH3ANXA2S100A10

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 LTA4H 3093/4885ALDH1A1 412/4885HRH3 538/4885

“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.