SCHEMBL2091106

SCHEMBL2091106

COc1c(-n2ccnc2)cc(-n2ccnc2)cc1-n1ccnc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.51
CYP11B2 P19099 4/20 0.51
CYP19A1 P11511 3/20 0.50
CYP3A4 P08684 5/20 0.44
HTT P42858 1/20 0.44
CGAS Q8N884 1/20 0.43
LMNA P02545 2/20 0.42
MAPT P10636 1/20 0.42
ENPP2 Q13822 1/20 0.42
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
NOTUM Q6P988 1/20 0.42
IDO1 P14902 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2A6 P11509 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL2091103 0.82 CYP3A4 (0.44) CYP11B1CYP11B2CYP19A1CYP3A4LMNA
SCHEMBL8337467 0.82 CYP11B1 (0.51) CYP11B1CYP11B2CYP19A1CYP3A4HTT
SCHEMBL2094707 0.78 CYP19A1 (0.61) CYP11B1CYP11B2CYP19A1CYP3A4HTT
SCHEMBL31138008 0.78 CYP11B1 (0.68) CYP11B1CYP11B2CYP19A1CYP3A4HTT
SCHEMBL14483736 0.78 CYP11B1 (0.68) CYP11B1CYP11B2CYP19A1CYP3A4HTT
SCHEMBL16673120 0.76 CYP3A4 (0.62) CYP11B1CYP11B2CYP19A1CYP3A4LMNA
SCHEMBL8727404 0.74 CYP11B1 (0.50) CYP11B1CYP11B2CYP19A1CYP3A4HTT
SCHEMBL13688754 0.73 CYP11B1 (0.43) CYP11B1CYP11B2CYP19A1CYP3A4HTT
SCHEMBL4954212 0.72 CYP11B1 (0.42) CYP11B1CYP11B2CYP19A1CYP3A4HTT
SCHEMBL243161 0.71 CYP11B1 (0.55) CYP11B1CYP11B2CYP19A1CYP3A4HTT

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 CYP11B1 1131/4885CYP11B2 662/4885CYP19A1 3013/4885

“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.