SCHEMBL2096972

SCHEMBL2096972

CC=C(OC)c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
RAB9A P51151 3/20 0.43
MAPT P10636 3/20 0.43
NPC1 O15118 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
PTGS1 P23219 2/20 0.42
ATM Q13315 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
KDM4E B2RXH2 1/20 0.40
METTL3 Q86U44 1/20 0.39
GAA P10253 2/20 0.39
LMNA P02545 1/20 0.38
PTBP1 P26599 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
SLC6A4 P31645 1/20 0.38

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
SCHEMBL15801061 0.79 ESR1 (0.52) SMN1; SMN2RAB9AMAPTNPC1KMT2A
SCHEMBL13838540 0.79 TDP1 (0.52) SMN1; SMN2RAB9AMAPTNPC1KMT2A
SCHEMBL2092522 0.79 TDP1 (0.52) SMN1; SMN2RAB9AMAPTNPC1KMT2A
SCHEMBL1536451 0.78 SMN1; SMN2 (0.49) SMN1; SMN2RAB9AMAPTNPC1KMT2A
SCHEMBL1536450 0.78 SMN1; SMN2 (0.49) SMN1; SMN2RAB9AMAPTNPC1KMT2A
SCHEMBL2091071 0.77 CA1 (0.54) SMN1; SMN2RAB9AMAPTNPC1MAPK1
SCHEMBL22022955 0.77 CES2 (0.37) SMN1; SMN2RAB9AMAPTNPC1KMT2A
SCHEMBL2095296 0.77 CES2 (0.47) KMT2AHTTPTGS1CES2CES1
SCHEMBL8588497 0.76 TSHR (0.50) SMN1; SMN2RAB9AMAPTNPC1KMT2A
SCHEMBL2777335 0.76 TSHR (0.50) SMN1; SMN2RAB9AMAPTNPC1KMT2A

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 SMN1; SMN2 3787/4885RAB9A 3153/4885MAPT 4299/4885

“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.