Sugi Predict

Sugi Predict / Compounds / SCHEMBL2093344

SCHEMBL2093344

SCHEMBL2093344

[O]C(Cc1ccccc1)c1nnn[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.39
▸ CPA3 P15088 1/20 0.37
▸ FOLH1 Q04609 1/20 0.37
▸ EPHX1 P07099 2/20 0.36
▸ TAAR1 Q96RJ0 4/20 0.36
▸ SIGMAR1 Q99720 2/20 0.36
▸ SLC18A2 Q05940 1/20 0.36
▸ ALPI P09923 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ XIAP P98170 1/20 0.35
▸ SLC7A5 Q01650 1/20 0.35
▸ SLC6A2 P23975 3/20 0.34
▸ SLC6A4 P31645 2/20 0.34
▸ SLC6A3 Q01959 2/20 0.34
▸ MAOA P21397 1/20 0.34
▸ CYP2A6 P11509 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ MDM2 Q00987 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
SCHEMBL11528941 0.83 CYP1A2 (0.42) CYP1A2CPA3FOLH1EPHX1TAAR1
SCHEMBL2090535 0.83 ANPEP (0.37) CYP1A2ANPEP
SCHEMBL2093740 0.80 DAO (0.38) SIGMAR1SLC6A3MAOA
SCHEMBL19354261 0.80 IDO1 (0.43) CYP1A2CPA3FOLH1EPHX1ALPI
SCHEMBL19354535 0.80 IDO1 (0.43) CYP1A2CPA3FOLH1EPHX1ALPI
SCHEMBL2097333 0.79 CES1 (0.39) MAOA
SCHEMBL7507014 0.79 CYP1A2 (0.54) CYP1A2EPHX1TAAR1SIGMAR1ALPI
SCHEMBL9531756 0.79 SLC6A2 (0.50) CYP1A2EPHX1TAAR1SIGMAR1SLC6A2
SCHEMBL6785583 0.79 CYP1A2 (0.54) CYP1A2EPHX1TAAR1SIGMAR1ALPI
SCHEMBL2096342 0.78 CES1 (0.41) SIGMAR1

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 CYP1A2 420/4885CPA3 4859/4885FOLH1 3335/4885

“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.