SCHEMBL2087995

SCHEMBL2087995

[CH2]CCCOCCCC(C)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.36
UTS2R Q9UKP6 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
SLC7A5 Q01650 4/20 0.32
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
LMNA P02545 3/20 0.32
SLC6A4 P31645 2/20 0.32
HRH3 Q9Y5N1 2/20 0.32
NPC1 O15118 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C19 P33261 2/20 0.32
MTOR P42345 2/20 0.32
RAB9A P51151 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 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
SCHEMBL1047311 0.81 PDE2A (0.43) PDE2ACA1CA2KCNH2ALDH1A1
SCHEMBL2095331 0.79 PDE2A (0.40) PDE2ASLC7A5MEN1KMT2ASLC6A4
SCHEMBL2097126 0.77 PDE2A (0.36) PDE2AUTS2RCA1CA2LMNA
SCHEMBL2097128 0.77 PDE2A (0.36) PDE2AUTS2RCA1CA2MEN1
SCHEMBL27900189 0.76 KIF11 (0.42) PDE2A
SCHEMBL16442485 0.76 PDE2A (0.46) PDE2ACA1CA2MEN1KMT2A
SCHEMBL20789414 0.76 PDE2A (0.46) PDE2ACA1CA2MEN1KMT2A
SCHEMBL6002598 0.76 PDE2A (0.46) PDE2ACA1CA2MEN1KMT2A
SCHEMBL24394438 0.74 PDE2A (0.45) PDE2ACA1CA2SLC7A5MEN1
SCHEMBL2095472 0.74 PDE2A (0.41) PDE2AUTS2RCA1CA2LMNA

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 PDE2A 3649/4885UTS2R 717/4885CA1 4171/4885

“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.