SCHEMBL2090348

SCHEMBL2090348

CC(C)c1ccc(C=CCC=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.57
KDM4E B2RXH2 2/20 0.52
MAPK1 P28482 1/20 0.52
SMN1; SMN2 Q16637 5/20 0.51
RAB9A P51151 5/20 0.51
NPC1 O15118 4/20 0.51
POLB P06746 2/20 0.51
GRIK1 P39086 1/20 0.48
GRIK2 Q13002 1/20 0.48
LMNA P02545 4/20 0.45
ALDH1A1 P00352 3/20 0.45
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
MEN1 O00255 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
KMT2A Q03164 1/20 0.41
RELA Q04206 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL2098166 0.82 TYR (0.54) TYRKDM4EMAPK1SMN1; SMN2RAB9A
SCHEMBL2098164 0.82 TYR (0.54) TYRKDM4EMAPK1SMN1; SMN2RAB9A
SCHEMBL23918549 0.78 TYR (0.64) TYRKDM4EMAPK1SMN1; SMN2RAB9A
SCHEMBL30075786 0.78 TYR (0.64) TYRKDM4EMAPK1SMN1; SMN2RAB9A
SCHEMBL2834582 0.78 KDM4E (0.53) TYRKDM4EMAPK1SMN1; SMN2RAB9A
SCHEMBL3595592 0.78 KDM4E (0.48) TYRKDM4EMAPK1SMN1; SMN2RAB9A
SCHEMBL6714536 0.78 GRIK1 (0.53) TYRKDM4EMAPK1SMN1; SMN2RAB9A
SCHEMBL6714532 0.78 GRIK1 (0.53) TYRKDM4EMAPK1SMN1; SMN2RAB9A
SCHEMBL11584024 0.78 KDM4E (0.48) TYRKDM4EMAPK1SMN1; SMN2RAB9A
SCHEMBL2834584 0.78 KDM4E (0.53) TYRKDM4EMAPK1SMN1; SMN2RAB9A

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 7 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
CN-100497345-C 2, 3-dihydro-6-nitroimidazolo [2,1-b] oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2009-06-10 CN 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
CN-1878777-A 2,3-dihydro-6-nitroimidazo (2,1-b) oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2006-12-13 CN 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 TYR 4630/4885KDM4E 4578/4885MAPK1 2105/4885

“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.