SCHEMBL83801

SCHEMBL83801

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

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PTGES O14684 2/20 0.40
TAAR1 Q96RJ0 2/20 0.39
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NOS3 P29474 1/20 0.36
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL82989 0.94 TAAR1 (0.41) KDM4ENPSR1PTGESTAAR1MAPT
SCHEMBL84221 0.92 TAAR1 (0.43) TAAR1MAPTALDH1A1NPC1RAB9A
SCHEMBL394140 0.86 MAPT (0.38) NPSR1TAAR1MAPTALDH1A1NPC1
SCHEMBL82712 0.85 ALDH1A1 (0.43) NPSR1PTGESTAAR1MAPTALDH1A1
SCHEMBL6254533 0.83 NOS3 (0.38) TAAR1MAPTALDH1A1NPC1RAB9A
SCHEMBL5762917 0.82 TAAR1 (0.38) TAAR1MAPTALDH1A1NPC1RAB9A
SCHEMBL7664282 0.80 MAOB (0.44) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL31323933 0.78 ALDH1A1 (0.39) MAPTALDH1A1LMNAHTT
SCHEMBL7091813 0.78 TAAR1 (0.39) TAAR1MAPTALDH1A1NPC1RAB9A
SCHEMBL5780300 0.77 KDM4E (0.44) KDM4ENPSR1PTGESMAPTALDH1A1

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 6 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
WO-2007025694-A1 USE OF OXAZOLE DERIVATIVES FOR CONTROLLING FISH PARASITES NOVARTIS AG (CH) 2007-03-08 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 (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-20100303865-A1 USE OF OXAZOLE DERIVATIVES FOR CONTROLLING FISH PARASITES OXA1L, NPY5R, ZFX KDM4E 361/4885NPSR1 758/4885PTGES 2111/4885

“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.