SCHEMBL6986637

SCHEMBL6986637

Fc1cccc(F)c1C1=NC(c2ccc(-c3ccc(OCC(F)(F)F)nc3)cc2)CO1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
RECQL P46063 1/20 0.37
KCNH2 Q12809 6/20 0.37
SCN5A Q14524 6/20 0.37
SCN9A Q15858 6/20 0.37
SLC6A3 Q01959 1/20 0.37
GHSR Q92847 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPT P10636 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TRPV3 Q8NET8 1/20 0.36
CYP1A2 P05177 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL6982893 0.89 SCN9A (0.41) ALDH1A1KCNH2SCN5ASCN9ASLC6A3
SCHEMBL6985888 0.87 ALDH1A1 (0.40) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6986636 0.86 ALDH1A1 (0.35) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6986680 0.85 ALDH1A1 (0.39) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6988320 0.84 ALDH1A1 (0.38) ALDH1A1SCN5ASCN9AMAPTNPC1
SCHEMBL7130839 0.83 SCN9A (0.36) ALDH1A1RECQLKCNH2SCN5ASCN9A
SCHEMBL6982917 0.83 ALDH1A1 (0.41) ALDH1A1RECQLKCNH2SCN5ASCN9A
SCHEMBL6981645 0.81 TRPV3 (0.36) ALDH1A1RECQLKCNH2SCN5ASCN9A
SCHEMBL14588823 0.81 TRPV3 (0.38) ALDH1A1RECQLSCN9ANPSR1TRPV3
SCHEMBL14588830 0.81 TRPV3 (0.38) ALDH1A1RECQLSCN9ANPSR1TRPV3

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
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
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 ALDH1A1 127/4885RECQL 2031/4885KCNH2 329/4885

“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.