SCHEMBL2093779

SCHEMBL2093779

[O]CCCC(CCc1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.49
ACP3 P15309 1/20 0.46
KCNH2 Q12809 3/20 0.42
SIGMAR1 Q99720 2/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
CASP1 P29466 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ANPEP P15144 2/20 0.40
ERAP1 Q9NZ08 2/20 0.40
ERAP2 Q6P179 1/20 0.40
CNR1 P21554 1/20 0.39
SLC6A4 P31645 3/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A3 Q01959 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 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
SCHEMBL2094123 0.89 ACP3 (0.49) CYP19A1ACP3KCNH2SIGMAR1ALDH1A1
SCHEMBL1538332 0.86 CYP19A1 (0.54) CYP19A1ACP3KCNH2SIGMAR1ALDH1A1
SCHEMBL9480601 0.85 KCNH2 (0.46) CYP19A1ACP3KCNH2SIGMAR1ALDH1A1
SCHEMBL9819733 0.81 HTR2A (0.57) CYP19A1ACP3KCNH2SIGMAR1CYP2D6
SCHEMBL2093783 0.81 CYP19A1 (0.49) CYP19A1ACP3KCNH2SIGMAR1ANPEP
SCHEMBL11615832 0.81 ALDH1A1 (0.54) CYP19A1ACP3KCNH2SIGMAR1ALDH1A1
SCHEMBL10014098 0.80 HTR2A (0.49) CYP19A1KCNH2SIGMAR1SLC6A4SLC6A2
SCHEMBL9819892 0.80 MAOA (0.57) CYP19A1ACP3KCNH2SIGMAR1
SCHEMBL4558971 0.80 SMN1; SMN2 (0.47) CYP19A1ACP3ANPEPERAP1ERAP2
SCHEMBL1539110 0.78 CYP19A1 (0.51) CYP19A1ACP3KCNH2SIGMAR1ALDH1A1

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 3013/4885ACP3 959/4885KCNH2 3121/4885

“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.