SCHEMBL2095871

SCHEMBL2095871

[O]c1ccc2ccc(N3CCC(Nc4cccc(OC(F)(F)C(F)(F)F)c4)CC3)cc2n1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 6/20 0.38
ROCK2 O75116 3/20 0.37
NOTUM Q6P988 1/20 0.35
ROCK1 Q13464 1/20 0.35
CASR P41180 2/20 0.35
PIM3 Q86V86 2/20 0.35
PIM2 Q9P1W9 2/20 0.35
CHRM4 P08173 2/20 0.35
MAPT P10636 1/20 0.34
GALR2 O43603 2/20 0.33
GALR1 P47211 2/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
F10 P00742 1/20 0.33
TRPV1 Q8NER1 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
SCHEMBL5538167 0.84 ROCK2 (0.39) PIM1ROCK2NOTUMROCK1CASR
SCHEMBL5538171 0.80 KDM4E (0.41) PIM1ROCK2NOTUMCHRM4MAPT
SCHEMBL2094407 0.77 PSEN1 (0.36) PIM1PIM3PIM2TRPV1
SCHEMBL5542569 0.75 NOTUM (0.46) PIM1ROCK2NOTUMROCK1CASR
SCHEMBL2089932 0.74 MAPT (0.39) PIM1MAPTGALR2GALR1
SCHEMBL2088467 0.73 HTR1A (0.39) PIM1CASRMAPT
SCHEMBL2091329 0.72 ROCK2 (0.44) PIM1ROCK2NOTUMROCK1CASR
SCHEMBL2098450 0.72 GALR2 (0.40) PIM1ROCK2PIM3PIM2GALR2
SCHEMBL5542573 0.71 NOTUM (0.46) PIM1ROCK2NOTUMROCK1CASR
SCHEMBL5543554 0.71 ALDH1A1 (0.38) CASRCHRM4MAPT

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 PIM1 3429/4885ROCK2 2395/4885NOTUM 4043/4885

“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.