SCHEMBL2090838

SCHEMBL2090838

[CH2]c1ccc(Oc2ccc(C)cc2C)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.40
AR P10275 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LIPG Q9Y5X9 1/20 0.38
HTR2A P28223 2/20 0.38
KCNH2 Q12809 2/20 0.38
HTR1A P08908 2/20 0.38
HTR3A P46098 2/20 0.38
GAA P10253 1/20 0.38
ACHE P22303 1/20 0.38
EGLN1 Q9GZT9 1/20 0.36
TEAD4 Q15561 1/20 0.36
NR3C1 P04150 1/20 0.36
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL28452075 0.90 SLC6A4 (0.45) SLC6A4ARL3MBTL1LIPGHTR2A
SCHEMBL446449 0.88 AR (0.47) SLC6A4ARL3MBTL1LIPGHTR2A
SCHEMBL9501792 0.85 KMT2A (0.41) SLC6A4ARGAAACHETEAD4
SCHEMBL8303786 0.82 ACHE (0.54) ARL3MBTL1GAAACHEALDH1A1
SCHEMBL465518 0.81 MEN1 (0.48) ARL3MBTL1LIPGACHEEGLN1
SCHEMBL11528953 0.81 TEAD4 (0.61) HTR1AHTR3AGAAACHETEAD4
SCHEMBL19175092 0.81 SLC6A4 (0.50) SLC6A4L3MBTL1HTR2AKCNH2HTR1A
SCHEMBL8484975 0.80 NTRK1 (0.48) HTR1AHTR3AGAAALDH1A1
SCHEMBL4950654 0.79 HTR1A (0.50) L3MBTL1HTR1AHTR3AGAAACHE
SCHEMBL31666386 0.79 HTR1A (0.50) L3MBTL1HTR1AHTR3AGAAACHE

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 SLC6A4 4365/4885AR 476/4885L3MBTL1 2575/4885

“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.