SCHEMBL2098334

SCHEMBL2098334

[O]c1ccc2c(c1)CCN(Cc1ccc(Cl)cc1)C2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.54
TNF P01375 1/20 0.51
NOD2 Q9HC29 1/20 0.51
NOD1 Q9Y239 1/20 0.51
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
DRD4 P21917 3/20 0.46
TMEM97 Q5BJF2 3/20 0.46
SIGMAR1 Q99720 3/20 0.46
HTR2B P41595 2/20 0.46
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
HRH1 P35367 1/20 0.46
CA9 Q16790 1/20 0.45
DRD2 P14416 1/20 0.45
HPGD P15428 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
ABCB1 P08183 1/20 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
SCHEMBL2095548 0.83 ACACB (0.57) ACACBTNFNOD2NOD1KMT2A
SCHEMBL6962643 0.82 ACACB (0.51) ACACBTNFNOD2NOD1KMT2A
SCHEMBL2093709 0.80 ACACB (0.59) ACACBTNFNOD2NOD1KMT2A
SCHEMBL14234932 0.80 TNF (0.67) TNFNOD2NOD1KMT2AMEN1
SCHEMBL3161336 0.79 ACACB (0.57) ACACBTNFNOD2NOD1KMT2A
SCHEMBL27624902 0.79 DHCR7 (0.60) ACACBTNFNOD2NOD1KMT2A
SCHEMBL10677884 0.78 ABCB1 (0.56) ACACBTNFNOD2NOD1KMT2A
SCHEMBL3152306 0.77 ACACB (0.55) ACACBDRD4SIGMAR1DRD2ABCB1
SCHEMBL23774387 0.74 ACACB (0.69) ACACBTNFNOD2NOD1KMT2A
SCHEMBL3156676 0.73 ACACB (0.51) ACACBTNFNOD2NOD1KMT2A

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 5 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
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO 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 ACACB 881/4885TNF 3236/4885NOD2 3887/4885

“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.