SCHEMBL2096871

SCHEMBL2096871

COc1cccc(C=CC[C]=O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.58
CHRM1 P11229 1/20 0.58
CHRM3 P20309 1/20 0.58
RELA Q04206 1/20 0.56
NQO2 P16083 1/20 0.55
NFE2L2 Q16236 3/20 0.53
CYP1A1 P04798 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP1B1 Q16678 2/20 0.53
FBP1 P09467 1/20 0.53
CYP19A1 P11511 1/20 0.51
TUBB4A P04350 1/20 0.50
TUBB P07437 1/20 0.50
TUBA3C P0DPH7 1/20 0.50
TUBA1B P68363 1/20 0.50
TUBA4A P68366 1/20 0.50
TUBB4B P68371 1/20 0.50
TUBB3 Q13509 1/20 0.50
TUBB2A Q13885 1/20 0.50
TUBB8 Q3ZCM7 1/20 0.50

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
SCHEMBL2096869 1.00 CHRM2 (0.58) CHRM2CHRM1CHRM3RELANQO2
SCHEMBL2090814 0.83 CYP1A1 (0.57) NQO2CYP1A1CYP1A2CYP1B1CYP19A1
SCHEMBL2090811 0.83 CYP1A1 (0.57) NQO2CYP1A1CYP1A2CYP1B1CYP19A1
SCHEMBL30022662 0.83 NFE2L2 (0.68) CHRM2CHRM1CHRM3RELANQO2
SCHEMBL2092790 0.81 CHRM2 (0.63) CHRM2CHRM1CHRM3RELANQO2
SCHEMBL2092791 0.81 CHRM2 (0.63) CHRM2CHRM1CHRM3RELANQO2
SCHEMBL5543605 0.81 CHRM2 (0.56) CHRM2CHRM1CHRM3RELANQO2
SCHEMBL5543602 0.81 CHRM2 (0.56) CHRM2CHRM1CHRM3RELANQO2
SCHEMBL2091108 0.80 PIM1 (0.44) CHRM2CHRM1CHRM3NFE2L2FBP1
SCHEMBL2091112 0.80 PIM1 (0.44) CHRM2CHRM1CHRM3NFE2L2FBP1

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 CHRM2 776/4885CHRM1 575/4885CHRM3 1184/4885

“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.