SCHEMBL2095869

SCHEMBL2095869

CN(C=O)c1c(Cl)cccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP1A2 P05177 1/20 0.35
CYP2A6 P11509 1/20 0.35
DOT1L Q8TEK3 1/20 0.34
LMNA P02545 3/20 0.33
POLB P06746 2/20 0.33
HTT P42858 2/20 0.33
TSHR P16473 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
HSP90AA1 P07900 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL2091152 0.77 ERN1 (0.38) ALDH1A1KMT2ATDP1POLBTSHR
SCHEMBL2092857 0.77 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ATDP1CYP1A2
SCHEMBL2089948 0.76 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ATDP1LMNA
SCHEMBL2091660 0.75 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ATDP1CYP1A2
1,2-Dichlorobenzene SCHEMBL28124693 0.73 TSHR (0.53) ALDH1A1MEN1KMT2ATDP1LMNA
SCHEMBL10373939 0.73 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ATDP1CYP1A2
SCHEMBL2093944 0.73 TDP1 (0.40) ALDH1A1TDP1TAAR1SMN1; SMN2AOC3
SCHEMBL16746561 0.72 CYP1A2 (0.43) ALDH1A1MEN1KMT2ATDP1CYP1A2
Ethyl Chloride SCHEMBL7447029 0.71 ALDH1A1 (0.38) ALDH1A1TDP1CYP1A2CYP2A6LMNA
SCHEMBL14382392 0.69 AOC3 (0.42) ALDH1A1CYP1A2CYP2A6DOT1LLMNA

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0358749-A1 1,4-SUBSTITUTED-2,3,5,6-TETRAHYDRO 1,3,6]TRIAZOCINO 1,2-a]BENZIMIDAZOLES AND INTERMEDIATES THEREFOR AMERICAN HOME PRODUCTS CORPORATION (US) 1990-03-21 EP claimed
US-4882323-A ANTIARRYTHMIA AGENT INTERMEDIATES AMERICAN HOME PRODUCTS (US) 1989-11-21 US claimed
WO-1989008111-A1 1,4-SUBSTITUTED-2,3,5,6-TETRAHYDRO[1,3,6]TRIAZOCINO[1,2-a]BENZIMIDAZOLES AND INTERMEDIATES THEREFOR AMERICAN HOME PRODUCTS CORPORATION (US) 1989-09-08 WO claimed
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
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
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
US-4935515-A ANTIARRHYTHMIA AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1990-06-19 US disclosed
US-4882323-A ANTIARRYTHMIA AGENT INTERMEDIATES AMERICAN HOME PRODUCTS (US) 1989-11-21 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 (2 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 ALDH1A1 355/4885MEN1 3295/4885KMT2A 4267/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 ALDH1A1 412/4885MEN1 4525/4885KMT2A 3324/4885

“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.