SCHEMBL82989

SCHEMBL82989

FC(F)(F)c1ccc(-c2ccc(C3COC(c4c(Cl)cccc4Cl)=N3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.41
MAPT P10636 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM1A O60341 1/20 0.36
NOS3 P29474 1/20 0.36
PTGES O14684 1/20 0.36

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
SCHEMBL83801 0.94 KDM4E (0.43) TAAR1MAPTNPC1RAB9AALDH1A1
SCHEMBL84221 0.87 TAAR1 (0.43) TAAR1MAPTNPC1RAB9AALDH1A1
SCHEMBL5762917 0.80 TAAR1 (0.38) TAAR1MAPTNPC1RAB9AALDH1A1
SCHEMBL82712 0.79 ALDH1A1 (0.43) TAAR1MAPTNPC1RAB9AALDH1A1
SCHEMBL394140 0.79 MAPT (0.38) TAAR1MAPTNPC1RAB9AALDH1A1
SCHEMBL6254533 0.76 NOS3 (0.38) TAAR1MAPTNPC1RAB9AALDH1A1
SCHEMBL7664282 0.76 MAOB (0.44) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL5763742 0.75 TAAR1 (0.40) TAAR1
SCHEMBL31323933 0.74 ALDH1A1 (0.39) MAPTALDH1A1
SCHEMBL7091813 0.73 TAAR1 (0.39) TAAR1MAPTNPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1030850-B1 AZOLINE DERIVATIVES NOVARTIS AG (CH) 2007-09-12 EP disclosed
WO-2007025694-A1 USE OF OXAZOLE DERIVATIVES FOR CONTROLLING FISH PARASITES NOVARTIS AG (CH) 2007-03-08 WO disclosed
US-6413912-B2 AGRICULTURAL PESTICIDE SYNGENTA CROP PROTECTION, INC. 2002-07-02 US disclosed
US-20010011065-A1 AZOLINE DERIVATIVES SYNGENTA CROP PROTECTION, INC. (FORMERLY NOVARTIS CROP PROTECTION, INC.) 2001-08-02 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 (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-20010011065-A1 AZOLINE DERIVATIVES CRY1, CYP3A7, CYP11B1 TAAR1 760/4885MAPT 222/4885NPC1 3236/4885
US-20100303865-A1 USE OF OXAZOLE DERIVATIVES FOR CONTROLLING FISH PARASITES OXA1L, NPY5R, ZFX TAAR1 2692/4885MAPT 4207/4885NPC1 3540/4885

“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.