SCHEMBL2093598

SCHEMBL2093598

C[CH]OCc1ccc(Br)cc1F

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 1/20 0.43
NAAA Q02083 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MTNR1B P49286 1/20 0.39
IDO1 P14902 2/20 0.38
AGXT P21549 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CCR5 P51681 1/20 0.38
PDPK1 O15530 1/20 0.38
HPD P32754 2/20 0.37
AKR1B1 P15121 2/20 0.36
KDM1A O60341 1/20 0.35

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
SCHEMBL2097283 0.82 NAAA (0.43) PYCR1NAAANPC1RAB9AMTNR1B
SCHEMBL582358 0.79 PYCR1 (0.46) PYCR1NAAANPC1RAB9AMTNR1B
SCHEMBL29506818 0.79 PYCR1 (0.46) PYCR1NAAANPC1RAB9AMTNR1B
SCHEMBL27686599 0.79 NAAA (0.48) PYCR1NAAANPC1RAB9AIDO1
SCHEMBL2093599 0.76 PYCR1 (0.44) PYCR1NAAANPC1RAB9AMTNR1B
SCHEMBL19129488 0.75 PYCR1 (0.43) PYCR1NAAANPC1RAB9AMTNR1B
SCHEMBL20465750 0.74 PYCR1 (0.47) PYCR1NAAANPC1RAB9APDPK1
SCHEMBL308050 0.74 PYCR1 (0.47) PYCR1NAAANPC1RAB9APDPK1
SCHEMBL29393338 0.74 PYCR1 (0.47) PYCR1NAAANPC1RAB9APDPK1
SCHEMBL23148174 0.74 PYCR1 (0.42) PYCR1NAAANPC1RAB9AMTNR1B

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 PYCR1 169/4885NAAA 1489/4885NPC1 3130/4885

“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.