SCHEMBL2088699

SCHEMBL2088699

Oc1c(C2CCCC2)cc(C2CCCC2)cc1C1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC8 Q9BY41 2/20 0.41
HDAC4 P56524 1/20 0.41
HDAC2 Q92769 1/20 0.41
ACMSD Q8TDX5 2/20 0.40
NUDT1 P36639 1/20 0.37
BACE1 P56817 1/20 0.37
HSP90AA1 P07900 1/20 0.37
KMO O15229 1/20 0.36
ESR2 Q92731 8/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CNR2 P34972 2/20 0.34
ESR1 P03372 6/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL39261 0.98 KMT2A (0.47) KDM4EMEN1MAPTKMT2AHDAC8
SCHEMBL11799540 0.98 KMT2A (0.47) KDM4EMEN1MAPTKMT2AHDAC8
SCHEMBL10886265 0.90 ESR2 (0.38) KDM4EMEN1MAPTKMT2AHDAC8
SCHEMBL8398683 0.87 KDM4E (0.44) KDM4EMEN1MAPTKMT2AHDAC8
SCHEMBL11630107 0.86 KDM4E (0.39) KDM4EMEN1MAPTKMT2AHDAC8
SCHEMBL23793659 0.84 KDM4E (0.38) KDM4EMEN1MAPTKMT2AHDAC8
SCHEMBL11629147 0.84 KDM4E (0.38) KDM4EMEN1MAPTKMT2AHDAC8
SCHEMBL31392788 0.84 KDM4E (0.45) KDM4EMEN1MAPTKMT2AHDAC8
SCHEMBL23792613 0.82 KDM4E (0.41) KDM4EMEN1MAPTKMT2AHDAC8
SCHEMBL11319994 0.82 KDM4E (0.41) KDM4EMEN1MAPTKMT2AHDAC8

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 8 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
US-4628127-A Heterogeneous catalytic alkylation ETHYL CORPORATION (US) 1986-12-09 US disclosed
US-4013473-A THERMOGRAPHY, SUBSTITUTED PHENOL REDUCING AGENT AGFA-GEVAERT N.V. (BE) 1977-03-22 US disclosed
US-3991139-A NORBORNENE DERIVATIVES, PHENOLS, ESTER THIOETHERS SHOWA DENKO KABUSHIKI KAISHA (JA) 1976-11-09 US 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 KDM4E 4578/4885MEN1 4525/4885MAPT 4299/4885

“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.