SCHEMBL2094945

SCHEMBL2094945

CN(Cc1ccc(Cl)cc1)c1ccc2c(c1)C[N]CC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
LSS P48449 2/20 0.37
FABP4 P15090 1/20 0.37
PYCR1 P32322 1/20 0.36
P2RX7 Q99572 1/20 0.35
HDAC1 Q13547 1/20 0.34
MDM4 O15151 1/20 0.33
MDM2 Q00987 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.33
CHRM1 P11229 1/20 0.33
HTR2A P28223 1/20 0.33
MCHR1 Q99705 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL2091514 0.84 RXRA (0.44) RXRARXRBRXRGLSSFABP4
SCHEMBL2092608 0.82 CHKA (0.37) TSHRHTR2A
SCHEMBL585704 0.73 HTR2A (0.48) HTR2AHTT
SCHEMBL2094533 0.70 RAB9A (0.43) HDAC1KDM4EALDH1A1RAB9A
SCHEMBL2095728 0.70 POLQ (0.40) RXRARXRBRXRG
SCHEMBL2095182 0.67 ALOX15 (0.41) HTR2A
SCHEMBL2301407 0.66 HTR2A (0.48) HTR2AHTT
SCHEMBL12844706 0.66 HDAC1 (0.48) PYCR1HDAC1KDM4ETSHRTAAR1
SCHEMBL27998959 0.65 POLB (0.62) PYCR1KDM4ETAAR1ALDH1A1HTT
SCHEMBL8263076 0.65 NR1H2 (0.54) HDAC1TSHRALDH1A1PTGDR2

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 RXRA 179/4885RXRB 138/4885RXRG 289/4885

“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.