SCHEMBL2095886

SCHEMBL2095886

[CH2]OCCCc1cccc2occc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 2/20 0.43
EED O75530 5/20 0.40
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
MAOA P21397 3/20 0.35
MAOB P27338 3/20 0.35
OPRM1 P35372 3/20 0.33
OPRK1 P41145 3/20 0.33
FTO Q9C0B1 1/20 0.33
HDAC1 Q13547 1/20 0.32
SUZ12 Q15022 2/20 0.31
EZH2 Q15910 2/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL2091923 0.83 KCNA3 (0.40) KCNA3EEDMTNR1AMTNR1BMAOA
SCHEMBL8835248 0.81 EED (0.42) KCNA3EEDMTNR1AMTNR1BMAOA
SCHEMBL27645282 0.79 MAOB (0.44) MAOAMAOBHDAC1
SCHEMBL2096511 0.79 EED (0.40) KCNA3EEDMTNR1AMTNR1BMAOA
SCHEMBL347860 0.78 MTNR1A (0.47) KCNA3EEDMTNR1AMTNR1BMAOA
SCHEMBL6952349 0.78 EED (0.42) KCNA3EEDMTNR1AMTNR1BMAOA
SCHEMBL2096585 0.78 EED (0.42) KCNA3EEDMTNR1AMTNR1BMAOA
SCHEMBL2094789 0.78 EED (0.44) KCNA3EEDMTNR1AMTNR1BMAOA
SCHEMBL452968 0.77 EED (0.40) KCNA3EEDMTNR1AMTNR1BMAOA
SCHEMBL3793134 0.74 MTNR1A (0.49) KCNA3EEDMTNR1AMTNR1BMAOA

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 KCNA3 3166/4885EED 3830/4885MTNR1A 802/4885

“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.