SCHEMBL83781

SCHEMBL83781

N#CC(F)(F)Oc1ccc(-c2ccc(C3COC(c4c(F)cccc4F)=N3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TAAR1 Q96RJ0 2/20 0.36
SCN9A Q15858 1/20 0.33
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
NOS3 P29474 1/20 0.31

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
SCHEMBL82386 0.90 NPC1 (0.47) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL8816195 0.90 NPC1 (0.47) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL82329 0.84 NPC1 (0.44) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL82712 0.83 ALDH1A1 (0.43) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL7837633 0.80 TAAR1 (0.42) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL6980670 0.80 NPC1 (0.66) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL6965278 0.80 NPC1 (0.45) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL84221 0.79 TAAR1 (0.43) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL83507 0.78 NPC1 (0.47) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL83319 0.76 NPC1 (0.46) NPC1RAB9AMAPTALDH1A1SMN1; 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 NPC1 3540/4885RAB9A 2152/4885MAPT 4207/4885
US-20020137781-A1 Preparation and use of enantiomer-pure 2,4-disubstituted oxazolines CYP1B1, CYP2S1, CHRM1 NPC1 3101/4885RAB9A 2914/4885MAPT 4511/4885

“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.