SCHEMBL2090802

SCHEMBL2090802

[CH2]C=Cc1cccc(NC)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
APP P05067 7/20 0.39
KCNH2 Q12809 2/20 0.37
PKM P14618 1/20 0.35
NFE2L2 Q16236 1/20 0.34
MMP1 P03956 3/20 0.33
MMP2 P08253 3/20 0.33
MMP9 P14780 3/20 0.33
SNCA P37840 2/20 0.33
TLR4 O00206 1/20 0.33
TLR2 O60603 1/20 0.33
GLA P06280 1/20 0.33
MAPT P10636 1/20 0.33
MAT2A P31153 1/20 0.33

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
SCHEMBL2090801 1.00 TSHR (0.39) TSHRAPPKCNH2PKMNFE2L2
SCHEMBL12707558 0.82 TSHR (0.52) TSHRAPPKCNH2PKMNFE2L2
SCHEMBL22369239 0.82 TSHR (0.41) TSHRAPPKCNH2PKMNFE2L2
SCHEMBL7048754 0.79 TP53 (0.54) TSHRAPPKCNH2MAT2A
SCHEMBL24243627 0.77 APP (0.47) TSHRAPPKCNH2PKMNFE2L2
SCHEMBL7545882 0.77 APP (0.40) TSHRAPPKCNH2PKM
SCHEMBL95532 0.75 ALDH1A1 (0.48) TSHRKCNH2
SCHEMBL14290425 0.75 TSHR (0.42) TSHRAPPKCNH2PKMMMP1
SCHEMBL20825116 0.74 APP (0.40) TSHRAPPPKMMAPT
Hydrochloric Acid SCHEMBL8194557 0.73 TSHR (0.41) TSHRAPPKCNH2MAT2A

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
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
CN-100497345-C 2, 3-dihydro-6-nitroimidazolo [2,1-b] oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2009-06-10 CN 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
CN-1878777-A 2,3-dihydro-6-nitroimidazo (2,1-b) oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2006-12-13 CN 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 TSHR 162/4885APP 4602/4885KCNH2 3121/4885

“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.