SCHEMBL6986719

SCHEMBL6986719

CC(=O)C(C)Nc1ccc(I)cn1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 7/20 0.45
HCAR2 Q8TDS4 2/20 0.39
PTK2 Q05397 1/20 0.37
RAB9A P51151 2/20 0.35
MAPT P10636 1/20 0.35
FDPS P14324 2/20 0.34
FDFT1 P37268 1/20 0.34
EDNRA P25101 1/20 0.34
DEGS1 O15121 1/20 0.33
CYP1A2 P05177 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
NNMT P40261 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL4476961 0.78 HCAR3 (0.53) HCAR3HCAR2MAPTFDPSFDFT1
SCHEMBL761089 0.75 PTK2 (0.62) PTK2RAB9AMAPTCYP1A2GAA
Methane SCHEMBL29283547 0.74 PTK2 (0.61) PTK2RAB9AMAPTCYP1A2GAA
SCHEMBL17675369 0.73 PORCN (0.47)
SCHEMBL13127918 0.72 FDPS (0.53) RAB9AFDPSGAASMN1; SMN2NPC1
SCHEMBL17198297 0.71 EDNRA (0.35) HCAR3HCAR2FDPSFDFT1EDNRA
SCHEMBL23938187 0.70 HDAC4 (0.48) ALDH1A1
SCHEMBL4160236 0.69 RAB9A (0.48) HCAR3PTK2RAB9AMAPTDEGS1
SCHEMBL28522128 0.69 L3MBTL1 (0.49) HCAR3PTK2RAB9AMAPTGAA
SCHEMBL6986721 0.69 HCAR3 (0.45) HCAR3HCAR2PTK2RAB9AMAPT

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 HCAR3 2484/4885HCAR2 2697/4885PTK2 1371/4885

“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.