SCHEMBL2090885

SCHEMBL2090885

Cc1ccccc1OC[O]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
GLA P06280 1/20 0.53
KDM4E B2RXH2 1/20 0.52
CYP1A2 P05177 1/20 0.52
SCN4A P35499 2/20 0.50
NPC1 O15118 2/20 0.50
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
RXRG P48443 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
RAB9A P51151 1/20 0.50
NOTUM Q6P988 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
TDP1 Q9NUW8 2/20 0.48
LMNA P02545 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL9397993 0.84 HPGD (0.59) ALDH1A1GLAKDM4ECYP1A2NPC1
SCHEMBL17568814 0.83 ALDH1A1 (0.52) ALDH1A1GLAKDM4ECYP1A2SCN4A
SCHEMBL1592876 0.82 TDP1 (0.60) ALDH1A1GLAKDM4ECYP1A2SCN4A
SCHEMBL2090752 0.81 HTR1B (0.58) ALDH1A1KDM4ETSHRRAB9ATDP1
SCHEMBL254578 0.80 ALDH1A1 (0.58) ALDH1A1GLAKDM4ECYP1A2SCN4A
SCHEMBL11679951 0.80 CYP2D6 (0.61) ALDH1A1GLAKDM4ECYP1A2NPC1
SCHEMBL9808080 0.80 ALDH1A1 (0.62) ALDH1A1GLAKDM4ECYP1A2NPC1
SCHEMBL30463519 0.80 ALDH1A1 (0.58) ALDH1A1GLAKDM4ECYP1A2SCN4A
SCHEMBL25210036 0.78 SCN4A (0.53) ALDH1A1GLAKDM4ECYP1A2SCN4A
SCHEMBL2546030 0.78 ALDH1A1 (0.52) ALDH1A1GLAKDM4ECYP1A2SCN4A

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 ALDH1A1 412/4885GLA 4138/4885KDM4E 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.