SCHEMBL6986725

SCHEMBL6986725

CCN(C(C)=O)c1ccc(I)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 2/20 0.36
GBA1 P04062 1/20 0.35
APP P05067 1/20 0.35
CFTR P13569 1/20 0.34
AOC3 Q16853 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
USP30 Q70CQ3 1/20 0.33
HTT P42858 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
MAPK1 P28482 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
AOX1 Q06278 1/20 0.31
PDE3A Q14432 1/20 0.31

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
SCHEMBL4782065 0.80 HDAC1 (0.37) HCAR3GBA1ALDH1A1SMN1; SMN2
SCHEMBL1432871 0.74 GBA1 (0.60) HCAR3GBA1APPAOC3SMN1; SMN2
SCHEMBL2562392 0.72 POLB (0.51) ALDH1A1GLATSHRSMN1; SMN2
SCHEMBL10293562 0.71 SMN1; SMN2 (0.37) HCAR3GBA1ALDH1A1GLATSHR
SCHEMBL21241042 0.70 HCAR3 (0.36) HCAR3APPCFTRAOC3GABRA1
SCHEMBL3043665 0.68 APP (0.56) APP
SCHEMBL4172587 0.67 HCAR3 (0.40) HCAR3GBA1ALDH1A1GLATSHR
SCHEMBL3718183 0.67 HDAC1 (0.37) HCAR3GBA1ALDH1A1GLATSHR
SCHEMBL28956873 0.66 NCF1 (0.51) ALDH1A1GLATSHRSMN1; SMN2HTT
SCHEMBL13664453 0.65 ALDH1A1 (0.47) ALDH1A1TSHRKDM4EGABRA1GABRG2

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 HCAR3 2484/4885GBA1 3756/4885APP 2087/4885

“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.