SCHEMBL256052

SCHEMBL256052

CC/C=C/c1ccc(Cl)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHAT P28329 1/20 0.50
ALDH1A1 P00352 1/20 0.48
PYGL P06737 11/20 0.46
GRIK1 P39086 1/20 0.44
GRIK2 Q13002 1/20 0.44
DHODH Q02127 1/20 0.41
KDM4A O75164 1/20 0.41
KDM4B O94953 1/20 0.41
PTGS2 P35354 1/20 0.41
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
GRIN1 Q05586 1/20 0.39
KCNH2 Q12809 1/20 0.39
GRIN2B Q13224 1/20 0.39
GUSB P08236 1/20 0.38

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
SCHEMBL28015753 0.84 CHAT (0.47) CHATALDH1A1PYGLGRIK1GRIK2
SCHEMBL15960053 0.84 CHAT (0.47) CHATALDH1A1PYGLGRIK1GRIK2
SCHEMBL29373832 0.82 NFE2L2 (0.39) CHATPYGLGRIK1GRIK2
SCHEMBL10160933 0.82 TRPA1 (0.48) CHATALDH1A1GRIK1GRIK2KCNH2
SCHEMBL29371144 0.82 TRPA1 (0.48) CHATALDH1A1GRIK1GRIK2KCNH2
SCHEMBL28015751 0.81 CHAT (0.45) CHATALDH1A1PYGLGRIK1GRIK2
SCHEMBL4168798 0.81 ALDH1A1 (0.50) CHATALDH1A1PYGLGRIK1GRIK2
SCHEMBL4168803 0.81 ALDH1A1 (0.50) CHATALDH1A1PYGLGRIK1GRIK2
SCHEMBL4420128 0.80 ALDH1A1 (0.60) CHATALDH1A1PYGL
SCHEMBL10973255 0.79 ALDH1A1 (0.64) CHATALDH1A1PYGLKDM4AKDM4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611300-B1 SUBSTITUTED ANNELATED DIHYDROPYRIMIDINONE COMPOUNDS BAYER IP GMBH (DE) 2016-04-06 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
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
WO-2012028578-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES BAYER CROPSCIENCE AG (DE) 2012-03-08 WO 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-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 CHAT 2894/4885ALDH1A1 412/4885PYGL 4459/4885

“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.