SCHEMBL2090423

SCHEMBL2090423

[CH2]CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.71
HTR7 P34969 6/20 0.67
DRD2 P14416 4/20 0.60
DRD3 P35462 3/20 0.60
DRD5 P21918 2/20 0.60
HTR1A P08908 2/20 0.60
ALDH1A1 P00352 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
MAPT P10636 1/20 0.60
TSHR P16473 1/20 0.60
NFKB1 P19838 1/20 0.60
MAPK1 P28482 1/20 0.60
CYP2C19 P33261 1/20 0.60
THPO P40225 1/20 0.60
MTOR P42345 1/20 0.60
BLM P54132 1/20 0.60
PMP22 Q01453 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60

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
SCHEMBL2090542 0.96 SIGMAR1 (0.69) SIGMAR1HTR7DRD2DRD3DRD5
SCHEMBL2095954 0.90 SIGMAR1 (0.69) SIGMAR1HTR7DRD2HTR1AALDH1A1
SCHEMBL11465528 0.90 SIGMAR1 (0.76) SIGMAR1HTR7DRD2DRD3HTR1A
SCHEMBL13875122 0.86 SIGMAR1 (0.71) SIGMAR1HTR7DRD2DRD3HTR1A
SCHEMBL7486480 0.86 SIGMAR1 (0.71) SIGMAR1HTR7DRD2DRD3DRD5
SCHEMBL8128060 0.86 SIGMAR1 (0.71) SIGMAR1HTR7DRD2DRD3DRD5
SCHEMBL3209307 0.86 SIGMAR1 (0.71) SIGMAR1HTR7DRD2DRD3DRD5
SCHEMBL8129982 0.85 SIGMAR1 (0.70) SIGMAR1HTR7DRD2DRD3DRD5
SCHEMBL9559659 0.85 SIGMAR1 (0.69) SIGMAR1HTR7DRD2DRD3DRD5
SCHEMBL7044652 0.85 SIGMAR1 (0.69) SIGMAR1HTR7DRD2DRD3HTR1A

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 SIGMAR1 161/4885HTR7 2949/4885DRD2 409/4885

“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.