SCHEMBL4916147

SCHEMBL4916147

O=C(NCc1cnccn1)c1cnccc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
NPC1 O15118 1/20 0.50
POLB P06746 1/20 0.50
DGAT2 Q96PD7 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.44
VNN1 O95497 2/20 0.43
NAMPT P43490 3/20 0.43
SORT1 Q99523 3/20 0.43
HPGDS O60760 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
SPR P35270 1/20 0.41
CYP2C9 P11712 1/20 0.40
GLS O94925 1/20 0.40
MAPK1 P28482 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL4907748 0.87 SORT1 (0.58) ALDH1A1NPC1POLBDGAT2SMN1; SMN2
SCHEMBL4916256 0.85 SCD (0.51) ALDH1A1NPC1POLBDGAT2NAMPT
SCHEMBL379788 0.84 ALDH1A1 (0.60) ALDH1A1NPC1POLBDGAT2NAMPT
SCHEMBL4916162 0.84 NPC1 (0.50) ALDH1A1NPC1POLBDGAT2NAMPT
SCHEMBL4914769 0.83 ALDH1A1 (0.55) ALDH1A1NPC1POLBDGAT2NAMPT
SCHEMBL3762834 0.80 ALDH1A1 (0.60) ALDH1A1NPC1POLBDGAT2NAMPT
SCHEMBL4911834 0.80 ALDH1A1 (0.53) ALDH1A1NPC1POLBDGAT2NAMPT
SCHEMBL16455681 0.80 ALDH1A1 (0.55) ALDH1A1NPC1POLBDGAT2SORT1
SCHEMBL4908766 0.80 ALDH1A1 (0.52) ALDH1A1NPC1POLBDGAT2SORT1
SCHEMBL4914157 0.79 ALDH1A1 (0.57) ALDH1A1NPC1POLBDGAT2SORT1

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-20080293674-A1 Azinyl Imidazoazine and Azinyl Carboxamide BAYER CROPSCIENCE AG (DE) 2008-11-27 US claimed
EP-1751152-A2 AZINYL IMIDAZOAZINE AND AZINYL CARBOXAMIDE Bayer CropScience Aktiengesellschaft (DE) 2007-02-14 EP claimed
WO-2005113553-A2 AZINYL IMIDAZOAZINE AND AZINYL CARBOXAMIDE BAYER CROPSCIENCE AG (DE) 2005-12-01 WO claimed
US-20080293674-A1 Azinyl Imidazoazine and Azinyl Carboxamide BAYER CROPSCIENCE AG (DE) 2008-11-27 US disclosed
EP-1751152-A2 AZINYL IMIDAZOAZINE AND AZINYL CARBOXAMIDE Bayer CropScience Aktiengesellschaft (DE) 2007-02-14 EP disclosed
WO-2005113553-A2 AZINYL IMIDAZOAZINE AND AZINYL CARBOXAMIDE BAYER CROPSCIENCE AG (DE) 2005-12-01 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-20080293674-A1 Azinyl Imidazoazine and Azinyl Carboxamide AZI2, NISCH, ZYX ALDH1A1 1233/4885NPC1 2845/4885POLB 3655/4885

“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.