SCHEMBL1045752

SCHEMBL1045752

Cn1ccnc1/C(=N/O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 1/20 0.46
CYP2D6 P10635 1/20 0.43
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 3/20 0.41
GFER P55789 1/20 0.41
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
XBP1 P17861 1/20 0.39
NAMPT P43490 1/20 0.38
LDHA P00338 1/20 0.38
LDHB P07195 1/20 0.38
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
MAPK14 Q16539 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL1045753 1.00 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2L3MBTL1LMNACYP2D6
SCHEMBL20151888 0.76 NAMPT (0.33) ALDH1A1SMN1; SMN2L3MBTL1LMNANAMPT
SCHEMBL28605586 0.76 CYP2D6 (0.45) ALDH1A1SMN1; SMN2L3MBTL1LMNACYP2D6
SCHEMBL17499743 0.74 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2L3MBTL1LMNACYP2D6
SCHEMBL1046896 0.73 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2L3MBTL1LMNAKMT2A
SCHEMBL1046895 0.73 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2L3MBTL1LMNAKMT2A
SCHEMBL1046026 0.73 HPGD (0.41) ALDH1A1SMN1; SMN2L3MBTL1LMNAKMT2A
SCHEMBL1046028 0.73 HPGD (0.41) ALDH1A1SMN1; SMN2L3MBTL1LMNAKMT2A
SCHEMBL17499121 0.73 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2L3MBTL1LMNACYP2D6
SCHEMBL20161643 0.72 CYP2D6 (0.42) ALDH1A1SMN1; SMN2L3MBTL1LMNACYP2D6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8981111-B2 Fungicide hydroximoyl-heterocycles derivatives BAYER CROPSCIENCE AG (DE) 2015-03-17 US disclosed
US-20110034445-A1 FUNGICIDE HYDROXIMOYL-HETEROCYCLES DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2011-02-10 US disclosed
EP-2271641-A1 FUNGICIDE HYDROXIMOYL-HETEROCYCLES DERIVATIVES Bayer CropScience AG (DE) 2011-01-12 EP disclosed
WO-2009130193-A1 FUNGICIDE HYDROXIMOYL-HETEROCYCLES DERIVATIVES BAYER CROPSCIENCE SA (FR) 2009-10-29 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-20110034445-A1 FUNGICIDE HYDROXIMOYL-HETEROCYCLES DERIVATIVES HAAO, HPD, CYP51A1 ALDH1A1 2550/4885SMN1; SMN2 4257/4885L3MBTL1 3437/4885

“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.