SCHEMBL2090897

SCHEMBL2090897

COc1cccc(Oc2ccc(-c3cccc([O])c3)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.56
FFAR1 O14842 1/20 0.54
FFAR4 Q5NUL3 1/20 0.54
ABL1 P00519 2/20 0.53
ABCB1 P08183 2/20 0.53
BCR P11274 2/20 0.53
ACACB O00763 1/20 0.52
MTNR1B P49286 8/20 0.50
MTNR1A P48039 6/20 0.50
PGR P06401 3/20 0.47
HDAC4 P56524 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
CYP1A1 P04798 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2E1 P05181 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C8 P10632 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2A6 P11509 1/20 0.46

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
SCHEMBL9414212 0.84 ABL1 (0.66) SMN1; SMN2FFAR1FFAR4ABL1ABCB1
SCHEMBL2093374 0.82 ABL1 (0.46) SMN1; SMN2FFAR1FFAR4ABL1ABCB1
SCHEMBL2090901 0.81 ABL1 (0.57) SMN1; SMN2FFAR1FFAR4ABL1ABCB1
SCHEMBL10709191 0.80 SMN1; SMN2 (0.80) SMN1; SMN2MTNR1BMTNR1APGRCYP3A4
SCHEMBL2091422 0.80 ABL1 (0.49) ABL1ABCB1BCRHDAC4HDAC2
SCHEMBL12770833 0.80 ALKBH3 (0.57) SMN1; SMN2FFAR1FFAR4ABL1ABCB1
SCHEMBL12736461 0.80 SMN1; SMN2 (0.62) SMN1; SMN2FFAR1FFAR4ABL1ABCB1
SCHEMBL2097711 0.79 ABL1 (0.44) ABL1ABCB1BCRHDAC4HDAC2
SCHEMBL7037652 0.79 CYP1A1 (0.61) SMN1; SMN2FFAR1FFAR4ABL1ABCB1
SCHEMBL27399871 0.79 ABL1 (0.74) SMN1; SMN2ABL1ABCB1BCRHDAC4

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 SMN1; SMN2 3787/4885FFAR1 58/4885FFAR4 141/4885

“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.