SCHEMBL2097189

SCHEMBL2097189

COCc1nc(-c2ccc(OC)cc2OC)cs1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 6/20 0.68
CYP1B1 Q16678 6/20 0.68
NPC1 O15118 5/20 0.60
MAPT P10636 5/20 0.60
RAB9A P51151 5/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
NFKB1 P19838 2/20 0.60
NFKB2 Q00653 2/20 0.60
RELA Q04206 2/20 0.60
KDM4E B2RXH2 1/20 0.60
GAA P10253 1/20 0.60
ATM Q13315 1/20 0.59
ALDH1A1 P00352 1/20 0.55
HPGD P15428 1/20 0.55
CYP1A2 P05177 2/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2E1 P05181 1/20 0.54
CYP2C8 P10632 1/20 0.54

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
SCHEMBL2097185 0.89 CYP1A1 (0.64) CYP1A1CYP1B1NPC1MAPTRAB9A
SCHEMBL15477792 0.86 CYP1A1 (0.68) CYP1A1CYP1B1NPC1MAPTRAB9A
SCHEMBL23743244 0.81 CYP1A1 (1.00) CYP1A1CYP1B1NPC1MAPTRAB9A
SCHEMBL1821573 0.80 CYP1A1 (0.75) CYP1A1CYP1B1NPC1MAPTRAB9A
SCHEMBL30557661 0.80 CYP1A1 (0.75) CYP1A1CYP1B1NPC1MAPTRAB9A
SCHEMBL19627005 0.80 CYP1A1 (0.75) CYP1A1CYP1B1NPC1MAPTRAB9A
SCHEMBL19625330 0.76 CYP1A1 (0.69) CYP1A1CYP1B1NPC1MAPTRAB9A
SCHEMBL5782452 0.75 CYP1A1 (0.53) CYP1A1CYP1B1NPC1MAPTRAB9A
SCHEMBL2097186 0.75 CYP1A1 (0.68) CYP1A1CYP1B1NPC1MAPTRAB9A
SCHEMBL23743188 0.75 CYP1A1 (0.83) CYP1A1CYP1B1NPC1MAPTRAB9A

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 CYP1A1 1306/4885CYP1B1 862/4885NPC1 3130/4885

“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.