SCHEMBL2096409

SCHEMBL2096409

O=C(CO)NC1CCCCCC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.63
HPGD P15428 3/20 0.63
KMT2A Q03164 1/20 0.63
SMN1; SMN2 Q16637 3/20 0.61
ALDH1A1 P00352 2/20 0.61
NPSR1 Q6W5P4 1/20 0.59
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
CYP3A4 P08684 2/20 0.58
EPHX2 P34913 2/20 0.58
MAPT P10636 1/20 0.58
KDM4E B2RXH2 1/20 0.58
LMNA P02545 1/20 0.57
CYP2C19 P33261 1/20 0.53
HDAC3 O15379 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52

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
SCHEMBL879434 1.00 EPHX1 (0.63) EPHX1HPGDKMT2ASMN1; SMN2ALDH1A1
SCHEMBL2089150 1.00 EPHX1 (0.63) EPHX1HPGDKMT2ASMN1; SMN2ALDH1A1
SCHEMBL1715478 0.98 SMN1; SMN2 (0.64) EPHX1HPGDKMT2ASMN1; SMN2ALDH1A1
SCHEMBL2096797 0.93
SCHEMBL2093857 0.87
Tromethamine SCHEMBL7931496 0.87 HPGD (0.51) EPHX1HPGDKMT2ASMN1; SMN2ALDH1A1
SCHEMBL3075216 0.85 EPHX1 (0.68) EPHX1HPGDKMT2ASMN1; SMN2ALDH1A1
SCHEMBL10587847 0.83 ALDH1A1 (0.83) EPHX1HPGDKMT2ASMN1; SMN2ALDH1A1
SCHEMBL6003255 0.82 SMN1; SMN2 (0.69) EPHX1HPGDKMT2ASMN1; SMN2ALDH1A1
SCHEMBL6002712 0.82 SMN1; SMN2 (0.69) EPHX1HPGDKMT2ASMN1; SMN2ALDH1A1

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 3 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

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 EPHX1 4212/4885HPGD 1951/4885KMT2A 3324/4885

“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.