SCHEMBL2098322

SCHEMBL2098322

CN(Cc1ccc(Cl)c(Cl)c1)Cc1cs[c]n1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 2/20 0.48
ATM Q13315 1/20 0.46
SIGMAR1 Q99720 12/20 0.43
CXCR3 P49682 2/20 0.40
CYP1A2 P05177 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
CYP2D6 P10635 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
KCNH2 Q12809 1/20 0.35
NR1I3 Q14994 1/20 0.34

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
SCHEMBL2093113 0.84 PYCR1 (0.44) PYCR1SIGMAR1CXCR3CYP1A2MEN1
SCHEMBL2095816 0.82 S1PR1 (0.33) MEN1KMT2A
SCHEMBL2088349 0.79 PYCR1 (0.42) PYCR1ATMSIGMAR1CYP1A2MEN1
SCHEMBL2097209 0.77 PYCR1 (0.50) PYCR1SIGMAR1MEN1ALDH1A1KMT2A
SCHEMBL2089879 0.76 PYCR1 (0.47) PYCR1MEN1ALDH1A1MAPTKMT2A
SCHEMBL19576548 0.73 PYCR1 (0.64) PYCR1ATMSIGMAR1CXCR3CYP1A2
SCHEMBL2090581 0.73 SLC6A4 (0.42) PYCR1ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL21674180 0.71 SIGMAR1 (0.60) PYCR1ATMSIGMAR1CXCR3CYP1A2
SCHEMBL5011886 0.70 RIPK1 (0.41) ALDH1A1
SCHEMBL933217 0.69

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 PYCR1 169/4885ATM 4071/4885SIGMAR1 161/4885

“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.