SCHEMBL2094516

SCHEMBL2094516

[CH2]OC(=O)Nc1ccc(C(C)=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.55
SMN1; SMN2 Q16637 7/20 0.55
NPC1 O15118 5/20 0.55
RAB9A P51151 3/20 0.55
TAAR1 Q96RJ0 1/20 0.55
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
HTT P42858 1/20 0.53
NLRP1 Q9C000 1/20 0.53
ALDH1A1 P00352 4/20 0.53
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
MAPK1 P28482 2/20 0.47
TP53 P04637 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
MCL1 Q07820 1/20 0.47

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
SCHEMBL2094519 0.84 SMN1; SMN2 (0.70) MAPTSMN1; SMN2NPC1RAB9ATAAR1
SCHEMBL3797430 0.80 ALDH1A1 (0.53) MAPTSMN1; SMN2NPC1RAB9ATAAR1
SCHEMBL2096844 0.80 CYP1A2 (0.65) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL514570 0.80 TDP1 (0.57) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL19138137 0.79 SMN1; SMN2 (0.53) MAPTSMN1; SMN2NPC1RAB9ATAAR1
SCHEMBL5344789 0.78 CYP17A1 (0.59) MAPTSMN1; SMN2NPC1RAB9ATAAR1
SCHEMBL6002968 0.78 RAB9A (0.59) MAPTSMN1; SMN2NPC1RAB9ATAAR1
SCHEMBL9089988 0.78 MAPT (0.54) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL3633396 0.77 NPC1 (0.84) MAPTSMN1; SMN2NPC1RAB9ATAAR1
SCHEMBL474757 0.77 ALDH1A1 (0.70) MAPTSMN1; SMN2NPC1RAB9ATAAR1

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 MAPT 4299/4885SMN1; SMN2 3787/4885NPC1 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.