SCHEMBL2153944

SCHEMBL2153944

CCNC(=O)/C(=N\O)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.64
NPC1 O15118 1/20 0.64
RAB9A P51151 1/20 0.64
GAA P10253 3/20 0.57
KDM4E B2RXH2 3/20 0.56
CYP2C19 P33261 1/20 0.52
ALDH1A1 P00352 1/20 0.42
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CES1 P23141 2/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
POLB P06746 2/20 0.41
NAAA Q02083 1/20 0.40
CES2 O00748 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL2153952 1.00 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9AGAAKDM4E
SCHEMBL2154203 0.86 SMN1; SMN2 (0.69) SMN1; SMN2NPC1RAB9AGAAKDM4E
SCHEMBL2154200 0.86 SMN1; SMN2 (0.69) SMN1; SMN2NPC1RAB9AGAAKDM4E
SCHEMBL2153967 0.83 SMN1; SMN2 (0.66) SMN1; SMN2NPC1RAB9AGAAKDM4E
SCHEMBL2153970 0.83 SMN1; SMN2 (0.66) SMN1; SMN2NPC1RAB9AGAAKDM4E
SCHEMBL28979912 0.82 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9AGAAKDM4E
SCHEMBL2154625 0.81 NAAA (0.63) SMN1; SMN2NPC1RAB9AGAAKDM4E
SCHEMBL2154627 0.81 NAAA (0.63) SMN1; SMN2NPC1RAB9AGAAKDM4E
SCHEMBL24270752 0.80 MAPT (0.46) SMN1; SMN2NPC1RAB9AGAAKDM4E
SCHEMBL1694122 0.79 GAA (0.57) SMN1; SMN2NPC1RAB9AGAAKDM4E

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-20130040993-A1 FUNGICIDE HYDROXIMOYL-HETEROCYCLES DERIVATIVES BAYER CROPSCIENCE AG (DE) 2013-02-14 US claimed
EP-2519502-A2 FUNGICIDAL HYDROXIMOYL-HETEROCYCLES DERIVATIVES Bayer CropScience AG (DE) 2012-11-07 EP claimed
WO-2011080254-A2 FUNGICIDE HYDROXIMOYL-HETEROCYCLES DERIVATIVES BAYER CROPSCIENCE AG (DE) 2011-07-07 WO claimed
US-9000012-B2 Fungicide hydroximoyl-heterocycles derivatives BAYER CROPSCIENCE AG (DE) 2015-04-07 US disclosed
US-20130040993-A1 FUNGICIDE HYDROXIMOYL-HETEROCYCLES DERIVATIVES BAYER CROPSCIENCE AG (DE) 2013-02-14 US disclosed
EP-2519502-A2 FUNGICIDAL HYDROXIMOYL-HETEROCYCLES DERIVATIVES Bayer CropScience AG (DE) 2012-11-07 EP disclosed
WO-2011080254-A2 FUNGICIDE HYDROXIMOYL-HETEROCYCLES DERIVATIVES BAYER CROPSCIENCE AG (DE) 2011-07-07 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-20130040993-A1 FUNGICIDE HYDROXIMOYL-HETEROCYCLES DERIVATIVES HAAO, HPD, CYP51A1 SMN1; SMN2 4286/4885NPC1 3839/4885RAB9A 3787/4885

“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.