SCHEMBL6981645

SCHEMBL6981645

Fc1cccc(F)c1C1=NC(c2ccc(-c3ccc(OCC(F)(F)F)nc3)cc2)CS1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 2/20 0.36
SCN9A Q15858 10/20 0.36
CYP1A2 P05177 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RECQL P46063 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
KCNH2 Q12809 5/20 0.34
SCN5A Q14524 5/20 0.34
SLC6A3 Q01959 1/20 0.34
GHSR Q92847 1/20 0.34
DGAT1 O75907 2/20 0.33
SYK P43405 1/20 0.33

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
SCHEMBL6981643 0.87
SCHEMBL14588830 0.81 TRPV3 (0.38) TRPV3SCN9ACYP1A2ALDH1A1RECQL
SCHEMBL6986637 0.81 ALDH1A1 (0.37) TRPV3SCN9ACYP1A2ALDH1A1RECQL
SCHEMBL14588823 0.81 TRPV3 (0.38) TRPV3SCN9ACYP1A2ALDH1A1RECQL
SCHEMBL14410355 0.76 EGFR (0.38) ALDH1A1L3MBTL1
SCHEMBL6982893 0.74 SCN9A (0.41) TRPV3SCN9AALDH1A1NPSR1KCNH2
SCHEMBL6986638 0.72 NOS3 (0.39) CYP1A2ALDH1A1KCNH2
SCHEMBL5642502 0.69 DGAT1 (0.32) TRPV3DGAT1
SCHEMBL6982917 0.69 ALDH1A1 (0.41) SCN9AALDH1A1RECQLNPSR1KCNH2
SCHEMBL5742861 0.68 GCK (0.36) SYK

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 TRPV3 246/4885SCN9A 1830/4885CYP1A2 40/4885

“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.