SCHEMBL2093379

SCHEMBL2093379

COc1c(OC)c(OC)c(Oc2ccc(-c3cccc(O)c3)cc2)c(OC)c1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 8/20 0.57
HSD17B2 P37059 8/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2C9 P11712 2/20 0.57
ABL1 P00519 2/20 0.50
ABCB1 P08183 2/20 0.50
BCR P11274 2/20 0.50
ESR2 Q92731 3/20 0.49
ESR1 P03372 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2B6 P20813 1/20 0.49
CYP2C19 P33261 1/20 0.49
NPC1 O15118 1/20 0.49
TP53 P04637 1/20 0.49
MAPK1 P28482 1/20 0.49
CASP3 P42574 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
SENP8 Q96LD8 1/20 0.49

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
SCHEMBL2097712 0.87 HSD17B1 (0.53) HSD17B1HSD17B2CYP3A4CYP2C9ABL1
SCHEMBL2091425 0.84 ABL1 (0.53) HSD17B1HSD17B2CYP3A4CYP2C9ABL1
SCHEMBL1026075 0.84 HSD17B1 (0.68) HSD17B1HSD17B2CYP3A4CYP2C9ABL1
SCHEMBL4677364 0.84 HSD17B1 (0.74) HSD17B1HSD17B2CYP3A4CYP2C9ABL1
SCHEMBL2090901 0.82 ABL1 (0.57) HSD17B1HSD17B2CYP3A4CYP2C9ABL1
SCHEMBL4674827 0.80 HSD17B1 (0.76) HSD17B1HSD17B2CYP3A4CYP2C9ABL1
SCHEMBL2093374 0.80 ABL1 (0.46) CYP3A4CYP2C9ABL1ABCB1BCR
SCHEMBL19542210 0.79 HSD17B1 (0.65) HSD17B1HSD17B2CYP3A4CYP2C9ABL1
SCHEMBL9292956 0.76 HSD17B1 (0.68) HSD17B1HSD17B2CYP3A4CYP2C9ABL1
SCHEMBL7898375 0.75 HSD17B1 (1.00) HSD17B1HSD17B2CYP3A4CYP2C9ABL1

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 HSD17B1 384/4885HSD17B2 314/4885CYP3A4 1734/4885

“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.