SCHEMBL2097449

SCHEMBL2097449

COC(=O)Nc1ccc(Cc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.67
RAB9A P51151 5/20 0.67
NPC1 O15118 2/20 0.67
HPGD P15428 1/20 0.62
SAE1 Q9UBE0 1/20 0.56
UBA2 Q9UBT2 1/20 0.56
MAPT P10636 5/20 0.54
LMNA P02545 3/20 0.54
ALDH1A1 P00352 2/20 0.54
POLB P06746 2/20 0.54
SLC1A3 P43003 1/20 0.53
SLC1A2 P43004 1/20 0.53
SLC1A1 P43005 1/20 0.53
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
MEN1 O00255 1/20 0.50
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50

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
SCHEMBL1022686 0.93 SMN1; SMN2 (0.64) SMN1; SMN2RAB9ANPC1HPGDSAE1
SCHEMBL18183585 0.89 SMN1; SMN2 (0.56) SMN1; SMN2RAB9ANPC1HPGDSAE1
SCHEMBL16838269 0.89 ALDH1A1 (0.65) SMN1; SMN2RAB9ANPC1HPGDSAE1
SCHEMBL17129481 0.87 SMN1; SMN2 (0.58) SMN1; SMN2RAB9ANPC1HPGDSAE1
SCHEMBL14802652 0.86 SMN1; SMN2 (0.79) SMN1; SMN2RAB9ANPC1HPGDSAE1
SCHEMBL13647687 0.86 SMN1; SMN2 (0.56) SMN1; SMN2RAB9ANPC1HPGDSAE1
SCHEMBL2092346 0.85 SMN1; SMN2 (0.54) SMN1; SMN2RAB9ANPC1HPGDSAE1
SCHEMBL2097448 0.84 SLC1A3 (0.51) SMN1; SMN2RAB9ANPC1HPGDSAE1
SCHEMBL11134616 0.84 SMN1; SMN2 (0.55) SMN1; SMN2RAB9ANPC1HPGDSAE1
SCHEMBL10249437 0.83 CYP17A1 (0.68) SMN1; SMN2RAB9ANPC1SLC1A3SLC1A2

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 6 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-1532187-B1 WATER-DILUTABLE POLYESTERS WITH A CYCLIC IMIDE AND ISOCYANURATE STRUCTURE BAYER MATERIALSCIENCE AG (DE) 2009-10-14 EP 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 3787/4885RAB9A 3153/4885NPC1 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.