SCHEMBL2093729

SCHEMBL2093729

COc1ccccc1-c1ccno1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.62
CYP19A1 P11511 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
ADRA1A P35348 2/20 0.50
ADRA1D P25100 1/20 0.50
ADRA1B P35368 1/20 0.50
RAB9A P51151 8/20 0.49
NPC1 O15118 7/20 0.49
SMN1; SMN2 Q16637 6/20 0.49
TP53 P04637 5/20 0.49
ALDH1A1 P00352 8/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 5/20 0.46
HSD17B10 Q99714 5/20 0.46
HPGD P15428 4/20 0.46
TDP1 Q9NUW8 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 2/20 0.45
TSHR P16473 2/20 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
SCHEMBL30842133 0.84 CYP1A2 (0.45) CYP1A2CYP19A1CYP2C9CYP2C19RAB9A
SCHEMBL2093726 0.81 CYP1A2 (0.58) CYP1A2CYP19A1CYP2C9CYP2C19ADRA1A
SCHEMBL29632631 0.79 CYP1A2 (0.52) CYP1A2CYP19A1CYP2C9CYP2C19ADRA1A
SCHEMBL5215799 0.78 CYP1A2 (0.55) CYP1A2CYP19A1CYP2C9CYP2C19ADRA1A
SCHEMBL2089963 0.77 AAK1 (0.44) CYP1A2CYP19A1CYP2C9CYP2C19RAB9A
SCHEMBL9289178 0.77 ACHE (0.46) CYP1A2CYP19A1CYP2C9CYP2C19ADRA1A
SCHEMBL7105387 0.76 NPC1 (0.49) CYP1A2CYP19A1CYP2C9CYP2C19RAB9A
SCHEMBL5215791 0.75 CYP1A2 (0.71) CYP1A2CYP19A1CYP2C9CYP2C19ADRA1A
SCHEMBL12681544 0.75 SMN1; SMN2 (0.51) CYP1A2CYP19A1CYP2C9CYP2C19ADRA1A
SCHEMBL29788605 0.73 MEN1 (0.47) CYP1A2CYP19A1CYP2C9CYP2C19SMN1; SMN2

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 CYP1A2 420/4885CYP19A1 3013/4885CYP2C9 2206/4885

“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.