SCHEMBL2093288

SCHEMBL2093288

[CH2]OCc1cc2c(CC)cccc2s1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.45
S1PR5 Q9H228 3/20 0.40
S1PR4 O95977 6/20 0.39
SLC22A12 Q96S37 2/20 0.39
AGXT P21549 1/20 0.35
GABRA1 P14867 2/20 0.32
GABRB2 P47870 2/20 0.32
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
DAO P14920 1/20 0.32
DDO Q99489 1/20 0.32

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
SCHEMBL2092383 0.74 AGXT (0.33) SLC22A12AGXT
SCHEMBL2094564 0.74 SLC9A1 (0.44) SLC9A1AGXTGABRA1
SCHEMBL27017823 0.73 ALDH1A1 (0.52) SLC9A1S1PR5S1PR4SLC22A12GABRA1
SCHEMBL2088811 0.69 AGXT (0.68) AGXT
SCHEMBL5758081 0.69 SLC9A1 (0.48) SLC9A1S1PR5S1PR4SLC22A12GABRA1
SCHEMBL27022378 0.69 SLC9A1 (0.48) SLC9A1S1PR5S1PR4SLC22A12GABRA1
SCHEMBL9214105 0.68 HTR5A (0.45) ALDH1A1
SCHEMBL829143 0.68 SLC9A1 (0.60) SLC9A1ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL2093290 0.67 CA2 (0.35) GABRA1GABRB2ALDH1A1
SCHEMBL18433428 0.66 PLAU (0.49) SLC9A1S1PR5S1PR4ALDH1A1L3MBTL1

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 3 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

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 SLC9A1 3718/4885S1PR5 2711/4885S1PR4 2394/4885

“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.