SCHEMBL6982893

SCHEMBL6982893

Fc1ccccc1C1=NC(c2ccc(-c3ccc(OCC(F)(F)F)nc3)cc2)CO1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 11/20 0.41
KCNH2 Q12809 5/20 0.38
SCN5A Q14524 5/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLC6A3 Q01959 1/20 0.38
GHSR Q92847 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TRPV3 Q8NET8 1/20 0.38
EPHB4 P54760 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
POLB P06746 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
SCHEMBL6982917 0.90 ALDH1A1 (0.41) SCN9AKCNH2SCN5AALDH1A1MAPT
SCHEMBL6986637 0.89 ALDH1A1 (0.37) SCN9AKCNH2SCN5AALDH1A1MAPT
SCHEMBL6982889 0.86 ALDH1A1 (0.37) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6982915 0.77 ALDH1A1 (0.38) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6985888 0.76 ALDH1A1 (0.40) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6986636 0.75 ALDH1A1 (0.35) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6986680 0.74 ALDH1A1 (0.39) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6981645 0.74 TRPV3 (0.36) SCN9AKCNH2SCN5AALDH1A1SLC6A3
SCHEMBL14588823 0.74 TRPV3 (0.38) SCN9AALDH1A1NPSR1TRPV3
SCHEMBL14588830 0.74 TRPV3 (0.38) SCN9AALDH1A1NPSR1TRPV3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6670307-B2 Such as 2-(2,6-difluorophenyl)-4-(4-(2-ethoxypyridin-5-yl) phenyl)oxazoline; for administration to livestock HOECHST SCHERING AGREVO GMBH (DE) 2003-12-30 US disclosed
EP-1087967-B1 1,3-OXAZOLINE AND 1,3-THIAZOLINE DERIVATIVES, METHOD FOR PRODUCING THE SAME AND THEIR USE AS PESTICIDES BAYER CROPSCIENCE GMBH (DE) 2003-10-22 EP disclosed
US-20020068828-A1 1,3-oxazoline and 1,3-thiazoline derivatives, their preparation, and their use as pesticides BAYER CROPSCIENCE AG (DE) 2002-06-06 US disclosed
CN-1305476-A 1,3-oxazoline and 1,3-thiazoline derivatives, method for producing the same and their use as pesticides AVENTIS CORP SCIENCE GMBH (DE) 2001-07-25 CN disclosed
US-6265350-B1 CONTROLLING HARMFUL FUNGI, INSECTS, ACARINA, MOLLUSKS AND NEMATODES HOECHST SCHERING AGREVO GMBH (DE) 2001-07-24 US disclosed
EP-1087967-A1 1,3-OXAZOLINE AND 1,3-THIAZOLINE DERIVATIVES, METHOD FOR PRODUCING THE SAME AND THEIR USE AS PESTICIDES Aventis CropScience GmbH (DE) 2001-04-04 EP disclosed
WO-1999065901-A1 1,3-OXAZOLINE AND 1,3-THIAZOLINE DERIVATIVES, METHOD FOR PRODUCING THE SAME AND THEIR USE AS PESTICIDES AVENTIS CROPSCIENCE GMBH (DE) 1999-12-23 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-20020068828-A1 1,3-oxazoline and 1,3-thiazoline derivatives, their preparation, and their use as pesticides MT-CO1, OXA1L, MT-CO3 SCN9A 1830/4885KCNH2 329/4885SCN5A 1087/4885

“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.