SCHEMBL2096875

SCHEMBL2096875

CCCOC(=O)[N]Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 2/20 0.38
PPARG P37231 2/20 0.38
EPHX2 P34913 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HSP90AA1 P07900 1/20 0.37
MAPT P10636 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
SRD5A2 P31213 1/20 0.37
PPARA Q07869 2/20 0.37
PPARD Q03181 1/20 0.37
NOS1 P29475 1/20 0.37
IDO1 P14902 1/20 0.37
MMP1 P03956 1/20 0.36

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
SCHEMBL2098148 0.86 ALDH1A1 (0.39) MEN1KMT2AKDM4EPPARGALDH1A1
SCHEMBL22541478 0.77 CYP1A1 (0.45) MAOBCYP1A1CYP1B1PPARGALDH1A1
SCHEMBL22541509 0.75 TDP1 (0.51) CYP1A1CYP1B1MEN1KMT2APPARG
SCHEMBL2096876 0.73 FAAH (0.52) PPARGEPHX2PPARA
SCHEMBL14107670 0.73 ALDH1A1 (0.64) CYP1A1CYP1B1KMT2AKDM4EALDH1A1
SCHEMBL2094716 0.72 SMN1; SMN2 (0.45) KMT2AALDH1A1PPARA
SCHEMBL2087778 0.71 HRH2 (0.43) PPARGALDH1A1MMP12
SCHEMBL2094061 0.71 POLB (0.51) PPARGEPHX2ALDH1A1PPARA
SCHEMBL26205237 0.70 HDAC1 (0.42) CYP1A1CYP1B1MEN1KMT2ANPSR1
SCHEMBL21059171 0.70 SMN1; SMN2 (0.61) MEN1KMT2ANPSR1KDM4EEPHX2

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 MAOB 1654/4885CYP1A1 1306/4885CYP1B1 862/4885

“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.