SCHEMBL2089753

SCHEMBL2089753

O=C(c1c(F)cc(F)cc1F)N1CC[N]CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
SPR P35270 1/20 0.44
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 2/20 0.40
HRH4 Q9H3N8 1/20 0.39
TSHR P16473 2/20 0.38
KMT2A Q03164 3/20 0.37
MAPK14 Q16539 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 2/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HPGD P15428 1/20 0.36
SERPINE1 P05121 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL2093664 0.94 LMNA (0.50) LMNASPRKDM4EALDH1A1CYP1A2
SCHEMBL646157 0.83 LMNA (0.61) LMNASPRKDM4EALDH1A1CYP1A2
SCHEMBL20594360 0.81 LMNA (0.65) LMNASPRALDH1A1CYP2C19TSHR
SCHEMBL3584113 0.79 HRH4 (0.48) LMNASPRHRH4
SCHEMBL2095786 0.73 HSD11B1 (0.58) KDM4EALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL15402867 0.72 LMNA (0.49) LMNASPRKDM4EALDH1A1CYP1A2
SCHEMBL4877455 0.72 LMNA (0.57) LMNAKDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL3123564 0.71 SMN1; SMN2 (0.71) LMNAALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL13213328 0.70 LMNA (0.65) LMNASPRKDM4EALDH1A1CYP1A2
SCHEMBL2094805 0.70 KMT2A (0.43) KDM4EALDH1A1KMT2AMAPT

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 LMNA 4594/4885SPR 1679/4885KDM4E 4578/4885

“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.