SCHEMBL2090901

SCHEMBL2090901

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.57
ABCB1 P08183 3/20 0.57
BCR P11274 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
HSD17B1 P14061 5/20 0.55
HSD17B2 P37059 5/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2C9 P11712 2/20 0.55
FFAR1 O14842 1/20 0.54
FFAR4 Q5NUL3 1/20 0.54
ACACB O00763 1/20 0.52
RAF1 P04049 1/20 0.52
BRAF P15056 1/20 0.52
NPC1 O15118 1/20 0.51
TP53 P04637 1/20 0.51
MAPK1 P28482 1/20 0.51
CASP3 P42574 1/20 0.51
RAB9A P51151 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51

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
SCHEMBL13712768 0.87 ABL1 (0.75) ABL1ABCB1BCRSMN1; SMN2HSD17B1
SCHEMBL1026075 0.86 HSD17B1 (0.68) ABL1ABCB1BCRSMN1; SMN2HSD17B1
SCHEMBL4677364 0.86 HSD17B1 (0.74) ABL1ABCB1BCRHSD17B1HSD17B2
SCHEMBL9292956 0.85 HSD17B1 (0.68) ABL1ABCB1BCRHSD17B1HSD17B2
SCHEMBL19542210 0.84 HSD17B1 (0.65) ABL1ABCB1BCRHSD17B1HSD17B2
SCHEMBL4609188 0.84 SMN1; SMN2 (0.58) ABL1BCRSMN1; SMN2CYP3A4TP53
SCHEMBL9414212 0.84 ABL1 (0.66) ABL1ABCB1BCRSMN1; SMN2HSD17B1
SCHEMBL1027189 0.84 HDAC4 (0.62) ABL1ABCB1BCRHSD17B1HSD17B2
SCHEMBL4608534 0.83 LTA4H (0.63) ABL1BCRSMN1; SMN2CYP3A4RAF1
SCHEMBL4046168 0.83 LTA4H (0.69) ABL1ABCB1BCRSMN1; SMN2MTNR1A

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 ABL1 2379/4885ABCB1 2232/4885BCR 624/4885

“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.