SCHEMBL6983652

SCHEMBL6983652

CC(=O)C(C)Nc1ccc(-c2ccc(C3COC(c4c(F)cccc4F)=N3)cc2)cn1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MAPT P10636 1/20 0.34
NR3C1 P04150 1/20 0.34
GPR55 Q9Y2T6 5/20 0.32
GRIA2 P42262 1/20 0.32
KCNH2 Q12809 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
STIM1 Q13586 1/20 0.32
ORAI1 Q96D31 1/20 0.32
RORC P51449 1/20 0.32

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
SCHEMBL6983654 0.82 STIM1 (0.37) ABL1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6983656 0.76 USP30 (0.35) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL6988320 0.75 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL83319 0.73 NPC1 (0.46) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL6967654 0.73 TAAR1 (0.44) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL6985888 0.73 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL6987711 0.73 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL6981649 0.72 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL6986680 0.71 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL8164187 0.71 MAPT (0.46) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT

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 ABL1 3353/4885ALDH1A1 127/4885SMN1; SMN2 1719/4885

“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.