SCHEMBL82712

SCHEMBL82712

Fc1cccc(Cl)c1C1=NC(c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)CO1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SCN9A Q15858 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
GRIN2B Q13224 1/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PTGES O14684 1/20 0.36
PTGS1 P23219 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
SCN5A Q14524 1/20 0.35
PTGS2 P35354 1/20 0.35
NOS3 P29474 1/20 0.34

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
SCHEMBL8816195 0.92 NPC1 (0.47) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL82386 0.92 NPC1 (0.47) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL83801 0.85 KDM4E (0.43) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL83781 0.83 NPC1 (0.43) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL82329 0.82 NPC1 (0.44) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL82989 0.79 TAAR1 (0.41) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL5780155 0.79 PTGES (0.37) HCRTR1HCRTR2GRIN2BLMNANPSR1
SCHEMBL29605577 0.78 MAPT (0.38) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL394140 0.78 MAPT (0.38) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6980670 0.78 NPC1 (0.66) 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 ALDH1A1 2870/4885MAPT 4207/4885NPC1 3540/4885
US-20020137781-A1 Preparation and use of enantiomer-pure 2,4-disubstituted oxazolines CYP1B1, CYP2S1, CHRM1 ALDH1A1 382/4885MAPT 4511/4885NPC1 3101/4885

“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.