SCHEMBL2091871

SCHEMBL2091871

COC(=O)Nc1cccc(F)c1C

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.58
ALDH1A1 P00352 5/20 0.51
GAA P10253 2/20 0.51
RAB9A P51151 6/20 0.49
NPC1 O15118 3/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HPGD P15428 2/20 0.49
NLRP3 Q96P20 1/20 0.44
CXCR2 P25025 2/20 0.42
PLAU P00749 1/20 0.42
LMNA P02545 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL7785858 0.87 HPGD (0.57) SMN1; SMN2ALDH1A1GAAHPGDNLRP3
SCHEMBL2091868 0.86 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1GAARAB9ANPC1
SCHEMBL4827906 0.84 RAB9A (0.50) SMN1; SMN2ALDH1A1GAARAB9ANPC1
SCHEMBL4725312 0.83 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1GAARAB9ANPC1
SCHEMBL513736 0.83 RAB9A (0.64) SMN1; SMN2ALDH1A1GAARAB9ANPC1
SCHEMBL2091236 0.83 SMN1; SMN2 (0.68) SMN1; SMN2ALDH1A1GAARAB9ANPC1
SCHEMBL1952694 0.81 NLRP3 (0.62) ALDH1A1GAARAB9ANPC1HPGD
SCHEMBL2091233 0.81 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1GAARAB9ANPC1
SCHEMBL30002532 0.81 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1GAARAB9ANPC1
SCHEMBL863826 0.81 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1GAARAB9ANPC1

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 SMN1; SMN2 3787/4885ALDH1A1 412/4885GAA 3982/4885

“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.