SCHEMBL2093783

SCHEMBL2093783

OCCCC(CCc1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.49
TDP1 Q9NUW8 1/20 0.48
ACP3 P15309 1/20 0.46
KCNH2 Q12809 3/20 0.42
SLC6A4 P31645 3/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A3 Q01959 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
SIGMAR1 Q99720 2/20 0.41
LTA4H P09960 1/20 0.41
EPHX2 P34913 1/20 0.41
ANPEP P15144 2/20 0.40
ERAP1 Q9NZ08 2/20 0.40
ERAP2 Q6P179 1/20 0.40
CNR1 P21554 1/20 0.39
CCR3 P51677 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
SCHEMBL2094124 0.89 TDP1 (0.52) CYP19A1TDP1ACP3KCNH2SLC6A4
SCHEMBL6520180 0.88 TRPA1 (0.44) TDP1CYP2D6
SCHEMBL1538332 0.86 CYP19A1 (0.54) CYP19A1TDP1ACP3KCNH2SLC6A4
SCHEMBL9480612 0.85 TDP1 (0.48) CYP19A1TDP1ACP3KCNH2SLC6A3
SCHEMBL19094051 0.84 TRPA1 (0.46) CYP2D6
SCHEMBL18098106 0.82 TRPA1 (0.44) CYP2D6
SCHEMBL2093779 0.81 CYP19A1 (0.49) CYP19A1ACP3KCNH2SLC6A4SLC6A2
SCHEMBL9819733 0.81 HTR2A (0.57) CYP19A1ACP3KCNH2CYP2D6SIGMAR1
SCHEMBL7265622 0.80 TRPA1 (0.41) CYP19A1CYP2D6SIGMAR1
SCHEMBL28830491 0.80 TRPA1 (0.41) CYP2D6CCR3

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 3 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

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 CYP19A1 3013/4885TDP1 4548/4885ACP3 959/4885

“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.