SCHEMBL2091103

SCHEMBL2091103

[CH2]Oc1c(-n2ccnc2)cc(-n2ccnc2)cc1-n1ccnc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.44
LMNA P02545 1/20 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
CYP11B1 P15538 5/20 0.41
CYP11B2 P19099 4/20 0.41
IDO1 P14902 4/20 0.41
CYP19A1 P11511 3/20 0.41
CYP2A6 P11509 1/20 0.41
CYP17A1 P05093 1/20 0.40
CYP21A2 P08686 1/20 0.40
MEN1 O00255 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP1A2 P05177 1/20 0.38
GAA P10253 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
SCHEMBL2091106 0.82 CYP11B1 (0.51) CYP3A4LMNAMAPTENPP2MKNK1
SCHEMBL2094703 0.78 CYP19A1 (0.49) CYP3A4LMNAMAPTENPP2MKNK1
SCHEMBL16673120 0.76 CYP3A4 (0.62) CYP3A4LMNAMAPTENPP2MKNK1
SCHEMBL16672827 0.71 IDO1 (0.54) CYP3A4LMNAMAPTENPP2MKNK1
SCHEMBL2095992 0.71 MAPT (0.33) MAPTGAA
SCHEMBL445884 0.70 CYP3A4 (0.58) CYP3A4LMNAMAPTENPP2MKNK1
SCHEMBL2094707 0.68 CYP19A1 (0.61) CYP3A4LMNAMAPTENPP2MKNK1
SCHEMBL8337467 0.68 CYP11B1 (0.51) CYP3A4LMNAMAPTENPP2MKNK1
SCHEMBL8333337 0.67 IDO1 (0.67) CYP3A4LMNAMAPTENPP2MKNK1
SCHEMBL18288736 0.67 CYP3A4 (0.52) CYP3A4LMNAMAPTENPP2MKNK1

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 CYP3A4 1734/4885LMNA 4594/4885MAPT 4299/4885

“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.