SCHEMBL2090503

SCHEMBL2090503

[CH2]CCCN1CCN(c2cccc(OC(F)(F)F)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.56
DRD2 P14416 3/20 0.49
DHFR P00374 1/20 0.48
HTR1A P08908 5/20 0.48
SIGMAR1 Q99720 3/20 0.48
DRD3 P35462 2/20 0.48
HTR2A P28223 1/20 0.48
HRH1 P35367 1/20 0.48
TMEM97 Q5BJF2 1/20 0.48
MLYCD O95822 1/20 0.46
NOTUM Q6P988 1/20 0.45
HTR7 P34969 1/20 0.45

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
SCHEMBL2092653 0.96 KCNH2 (0.58) KCNH2DRD2DHFRHTR1ASIGMAR1
SCHEMBL2088426 0.93 KCNH2 (0.52) KCNH2DRD2DHFRHTR1ASIGMAR1
SCHEMBL2095351 0.85 HSD17B10 (0.49) KCNH2DRD2HTR1ASIGMAR1DRD3
SCHEMBL11744961 0.84 DRD2 (0.51) KCNH2DRD2DHFRSIGMAR1DRD3
SCHEMBL8785239 0.82 KCNH2 (0.81) KCNH2DRD2HTR1ASIGMAR1DRD3
SCHEMBL2090542 0.81 SIGMAR1 (0.69) DRD2HTR1ASIGMAR1DRD3HTR7
SCHEMBL2094768 0.81 SLC6A2 (0.48) KCNH2DRD2HTR1ASIGMAR1DRD3
SCHEMBL4685457 0.81 KCNH2 (0.55) KCNH2DRD2HTR1ASIGMAR1DRD3
SCHEMBL4933552 0.81 KCNH2 (0.55) KCNH2DRD2HTR1ASIGMAR1DRD3
SCHEMBL2091301 0.80 KCNH2 (0.49) KCNH2DRD2HTR1ASIGMAR1DRD3

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 KCNH2 3121/4885DRD2 409/4885DHFR 25/4885

“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.