SCHEMBL2094953

SCHEMBL2094953

[O]c1ccc2cccnc2c1N1CCC(Nc2cc(Cl)cc(Cl)c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 4/20 0.38
HTR1A P08908 1/20 0.38
MALT1 Q9UDY8 1/20 0.36
MAPT P10636 4/20 0.36
PDE4B Q07343 2/20 0.36
PDE4D Q08499 2/20 0.36
TP53 P04637 2/20 0.36
PDE4A P27815 1/20 0.36
PDE4C Q08493 1/20 0.36
GRM4 Q14833 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
RECQL P46063 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
MCHR1 Q99705 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL2096479 0.83 KMT2A (0.46) SLC40A1MAPTMEN1KMT2ACYP3A4
SCHEMBL2094890 0.81 TRPV1 (0.46) SLC40A1MAPTTP53KMT2AHTT
SCHEMBL2095387 0.76 HTR1A (0.47) SLC40A1HTR1AMAPTTP53MEN1
SCHEMBL2094914 0.76 DKK1 (0.41) SLC40A1HTR1AMAPTTP53MEN1
SCHEMBL2091914 0.70 ALDH1A1 (0.40) SLC40A1HTR1AMAPTTP53MEN1
SCHEMBL2095554 0.70 CNR1 (0.39) MALT1MAPTPDE4BPDE4DTP53
SCHEMBL5547883 0.68 HDAC1 (0.44) MAPTMEN1KMT2ACNR1CNR2
SCHEMBL2092159 0.66 FPR2 (0.40) MALT1MAPTPDE4BPDE4DHTT
SCHEMBL27645104 0.64 HTR2A (0.53) HTR1APDE4BPDE4DPDE4APDE4C
SCHEMBL2092303 0.63 CNR1 (0.48) MAPTMEN1KMT2ACNR1CNR2

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 SLC40A1 2751/4885HTR1A 3561/4885MALT1 3302/4885

“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.