SCHEMBL2093530

SCHEMBL2093530

[O]C(CCCCCCC1CCCCC1)c1nnn[nH]1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.38
GPR84 Q9NQS5 1/20 0.34
NAAA Q02083 3/20 0.33
CYP1A2 P05177 1/20 0.33
BMP1 P13497 2/20 0.31
MAPT P10636 1/20 0.31
KDM5A P29375 2/20 0.31
PHF8 Q9UPP1 2/20 0.31
KDM2A Q9Y2K7 2/20 0.31
KDM4C Q9H3R0 1/20 0.31
KDM4A O75164 1/20 0.31
TNKS2 Q9H2K2 1/20 0.30

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
SCHEMBL2095854 1.00 SIGMAR1 (0.38) SIGMAR1GPR84NAAACYP1A2BMP1
SCHEMBL2090496 0.99 SIGMAR1 (0.35) SIGMAR1GPR84NAAACYP1A2BMP1
SCHEMBL6003073 0.84 SIGMAR1 (0.39) SIGMAR1GPR84NAAACYP1A2BMP1
SCHEMBL6002734 0.82 SIGMAR1 (0.36) SIGMAR1GPR84NAAACYP1A2BMP1
SCHEMBL2090184 0.79 DAO (0.30)
SCHEMBL6003283 0.69 MAPT (0.30) MAPT
SCHEMBL6001510 0.69 IDO1 (0.37)
SCHEMBL16934012 0.67 SIGMAR1 (0.54) SIGMAR1GPR84NAAACYP1A2KDM5A
SCHEMBL4466278 0.66 SIGMAR1 (0.75) SIGMAR1GPR84NAAACYP1A2KDM5A
SCHEMBL728711 0.66 SIGMAR1 (0.75) SIGMAR1GPR84NAAACYP1A2KDM5A

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 SIGMAR1 161/4885GPR84 372/4885NAAA 1489/4885

“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.