SCHEMBL2090468

SCHEMBL2090468

CN(C(=O)O)c1c(Cl)cccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
TSHR P16473 1/20 0.42
AKR1B1 P15121 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.38
S1PR4 O95977 1/20 0.38
FEN1 P39748 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
FSCN1 Q16658 1/20 0.36
NOTUM Q6P988 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
SCHEMBL30132112 0.83 FSCN1 (0.48) POLBTSHRAKR1B1ALDH1A1HTT
SCHEMBL2090466 0.83 POLB (0.47) POLBTSHRAKR1B1ALDH1A1HTT
SCHEMBL28167545 0.82 ALDH1A1 (0.44) POLBTSHRAKR1B1ALDH1A1HTT
SCHEMBL12763813 0.81 POLB (0.42) POLBTSHRAKR1B1ALDH1A1HTT
SCHEMBL2089846 0.78 FSCN1 (0.44) POLBTSHRALDH1A1KMT2AFEN1
SCHEMBL5798051 0.78 FAAH (0.41) POLBTSHRALDH1A1
SCHEMBL23723677 0.78 HTT (0.44) POLBAKR1B1ALDH1A1HTTKMT2A
SCHEMBL2093314 0.78 TSHR (0.47) POLBTSHRAKR1B1ALDH1A1KMT2A
SCHEMBL1820107 0.77 POLB (0.50) POLBTSHRALDH1A1CES2CES1
SCHEMBL2792862 0.76 POLB (0.39) POLBALDH1A1HTTKMT2AS1PR4

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 3 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

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 POLB 757/4885TSHR 162/4885AKR1B1 216/4885

“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.