SCHEMBL2089604

SCHEMBL2089604

[CH2]CCCc1ccccc1Oc1cc(C)c(C)cc1C

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.40
SLC6A2 P23975 8/20 0.40
SLC6A3 Q01959 8/20 0.40
HTR2A P28223 2/20 0.39
HRH1 P35367 1/20 0.36
TAAR1 Q96RJ0 1/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
TRAP1 Q12931 1/20 0.33
ABCB1 P08183 1/20 0.33

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
SCHEMBL7646958 0.75 HRH1 (0.62) SLC6A4SLC6A2SLC6A3HTR2AHRH1
SCHEMBL399492 0.74 TAAR1 (0.60) TAAR1ABCB1
SCHEMBL2089708 0.72 DHFR (0.35) TAAR1
SCHEMBL397691 0.72 TAAR1 (0.56) TAAR1
SCHEMBL11140434 0.71 L3MBTL1 (0.53) THRATHRB
SCHEMBL9480066 0.71 THRA (0.40) HRH1TAAR1THRATHRB
SCHEMBL2100931 0.71 NPC1 (0.34) SLC6A4SLC6A2SLC6A3HTR2A
SCHEMBL5535030 0.70 HRH1 (0.61) SLC6A4SLC6A2SLC6A3HTR2AHRH1
SCHEMBL11804739 0.70 SLC6A2 (0.40) SLC6A4SLC6A2TAAR1THRATHRB
SCHEMBL36193 0.70 THRA (0.49) SLC6A4SLC6A2SLC6A3HRH1TAAR1

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 4365/4885SLC6A2 3591/4885SLC6A3 3737/4885

“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.