SCHEMBL2091308

SCHEMBL2091308

Clc1ccc(NC2CC[N]CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.58
FPR2 P25090 2/20 0.42
PROKR1 Q8TCW9 2/20 0.42
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
RHOC P08134 1/20 0.40
RHOA P61586 1/20 0.40
HTR6 P50406 2/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 2/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
NPC1 O15118 1/20 0.38
EPHX1 P07099 1/20 0.38

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
SCHEMBL668906 0.85 POLB (0.68) POLBFPR2PROKR1ROCK2ROCK1
SCHEMBL11808670 0.85 POLB (0.68) POLBFPR2PROKR1ROCK2ROCK1
Hydrochloric Acid SCHEMBL1919158 0.83 POLB (0.66) POLBFPR2PROKR1ROCK2ROCK1
SCHEMBL18855421 0.81 POLB (0.63) POLBRHOCRHOAALDH1A1SMN1; SMN2
SCHEMBL2095853 0.80 MEN1 (0.37) POLBALDH1A1GAA
SCHEMBL2090237 0.80 HTR2A (0.40) POLBHTR6LMNAGAAJAK2
SCHEMBL2094106 0.79 FPR2 (0.45) POLBFPR2PROKR1ROCK2ALDH1A1
SCHEMBL20677078 0.79 POLB (0.61) POLBFPR2PROKR1RHOCRHOA
SCHEMBL2936626 0.79 POLB (0.61) POLBALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL2099269 0.79 CARM1 (0.45) POLBROCK2ROCK1ALDH1A1SMN1; SMN2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO claimed
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
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO 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 POLB 757/4885FPR2 68/4885PROKR1 1963/4885

“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.