SCHEMBL83780

SCHEMBL83780

N#Cc1ccc(-c2ccc(C3COC(c4c(F)cccc4F)=N3)cc2OC(F)F)cc1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
AR P10275 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
KDM1A O60341 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RORC P51449 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
ROCK2 O75116 1/20 0.31
ROCK1 Q13464 1/20 0.31
PRF1 P14222 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
SCHEMBL83782 0.94 GRIN1 (0.35) PDE3BPDE3AARGRIN1GRIN2B
SCHEMBL7837633 0.82 TAAR1 (0.42) ARKDM1AALDH1A1MAPTNPC1
SCHEMBL83507 0.76 NPC1 (0.47) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6965278 0.71 NPC1 (0.45) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL23178714 0.71 ALDH1A1 (0.35) KDM1AALDH1A1MAPTNPC1RAB9A
SCHEMBL8656596 0.69 MAPT (0.39) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8818079 0.68 NOS3 (0.45) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7830027 0.68 MAPT (0.44) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL83781 0.68 NPC1 (0.43) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7580846 0.67 TAAR1 (0.40) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8128943-B2 Use of oxazole derivatives for controlling fish parasites NOVARTIS AG (CH) 2012-03-06 US claimed
US-20100303865-A1 USE OF OXAZOLE DERIVATIVES FOR CONTROLLING FISH PARASITES NOVARTIS AG (CH) 2010-12-02 US claimed
EP-1931204-A1 USE OF OXAZOLE DERIVATIVES FOR CONTROLLING FISH PARASITES Novartis AG (CH) 2008-06-18 EP claimed
WO-2007025694-A1 USE OF OXAZOLE DERIVATIVES FOR CONTROLLING FISH PARASITES NOVARTIS AG (CH) 2007-03-08 WO claimed
US-8128943-B2 Use of oxazole derivatives for controlling fish parasites NOVARTIS AG (CH) 2012-03-06 US disclosed
US-20100303865-A1 USE OF OXAZOLE DERIVATIVES FOR CONTROLLING FISH PARASITES NOVARTIS AG (CH) 2010-12-02 US disclosed
EP-1931204-A1 USE OF OXAZOLE DERIVATIVES FOR CONTROLLING FISH PARASITES Novartis AG (CH) 2008-06-18 EP disclosed
WO-2007025694-A1 USE OF OXAZOLE DERIVATIVES FOR CONTROLLING FISH PARASITES NOVARTIS AG (CH) 2007-03-08 WO disclosed
US-20020137781-A1 Preparation and use of enantiomer-pure 2,4-disubstituted oxazolines FROELICH OLIVIER (FR) 2002-09-26 US disclosed
EP-1165527-A1 PESTICIDAL ENANTIOMER-PURE 2,4-DISUBSTITUTED OXAZOLINES Novartis AG (CH) 2002-01-02 EP disclosed
WO-2000058291-A1 PESTICIDAL ENANTIOMER-PURE 2,4-DISUBSTITUTED OXAZOLINES NOVARTIS AG (CH) 2000-10-05 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 (2 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-20100303865-A1 USE OF OXAZOLE DERIVATIVES FOR CONTROLLING FISH PARASITES OXA1L, NPY5R, ZFX PDE3B 1660/4885PDE3A 1532/4885AR 4617/4885
US-20020137781-A1 Preparation and use of enantiomer-pure 2,4-disubstituted oxazolines CYP1B1, CYP2S1, CHRM1 PDE3B 1198/4885PDE3A 754/4885AR 965/4885

“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.