SCHEMBL4916162

SCHEMBL4916162

O=C(NCc1ccc(C(F)(F)F)cn1)c1cnccc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.50
POLB P06746 1/20 0.50
ALDH1A1 P00352 1/20 0.48
SORT1 Q99523 3/20 0.48
NAMPT P43490 7/20 0.45
DGAT2 Q96PD7 1/20 0.45
BACE1 P56817 1/20 0.42
GLS O94925 1/20 0.42
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SCN9A Q15858 1/20 0.40
GSK3B P49841 1/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 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 0.84 SORT1 (0.58) NPC1POLBALDH1A1SORT1DGAT2
SCHEMBL4916147 0.84 ALDH1A1 (0.51) NPC1POLBALDH1A1SORT1NAMPT
SCHEMBL4916256 0.82 SCD (0.51) NPC1POLBALDH1A1NAMPTDGAT2
SCHEMBL4914769 0.80 ALDH1A1 (0.55) NPC1POLBALDH1A1SORT1NAMPT
SCHEMBL4915276 0.79 KMT2A (0.54) NPC1POLBALDH1A1SORT1DGAT2
SCHEMBL15717798 0.79 NPC1 (0.46) NPC1POLBALDH1A1DGAT2SCN9A
SCHEMBL379788 0.79 ALDH1A1 (0.60) NPC1POLBALDH1A1SORT1NAMPT
SCHEMBL7837411 0.78 ALDH1A1 (0.54) NPC1POLBALDH1A1SORT1NAMPT
SCHEMBL3762834 0.77 ALDH1A1 (0.60) NPC1POLBALDH1A1SORT1NAMPT
SCHEMBL4911834 0.77 ALDH1A1 (0.53) NPC1POLBALDH1A1SORT1NAMPT

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
CN-1980926-A Azinyl imidazoazine and azinyl carboxamide BAYER CROPSCIENCE AG (DE) 2007-06-13 CN 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
CN-1980926-A Azinyl imidazoazine and azinyl carboxamide BAYER CROPSCIENCE AG (DE) 2007-06-13 CN 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 NPC1 2845/4885POLB 3655/4885ALDH1A1 1233/4885

“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.