SCHEMBL4908836

SCHEMBL4908836

O=C(NCc1cccnc1Cl)c1cnccc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
POLB P06746 2/20 0.51
NPC1 O15118 1/20 0.51
SCN2A Q99250 3/20 0.50
SCN10A Q9Y5Y9 3/20 0.50
DGAT2 Q96PD7 1/20 0.50
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 1/20 0.44
KCNH2 Q12809 1/20 0.43
SCN5A Q14524 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
MAPK8 P45983 2/20 0.42
P2RX7 Q99572 1/20 0.41
HSD17B13 Q7Z5P4 1/20 0.41
TRPV1 Q8NER1 1/20 0.41

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
SCHEMBL4914769 0.83 ALDH1A1 (0.55) ALDH1A1POLBNPC1DGAT2CYP1A2
SCHEMBL4908766 0.82 ALDH1A1 (0.52) ALDH1A1POLBNPC1DGAT2LMNA
SCHEMBL4907748 0.80 SORT1 (0.58) ALDH1A1POLBNPC1DGAT2SMN1; SMN2
SCHEMBL4907706 0.79 ALDH1A1 (0.54) ALDH1A1POLBNPC1DGAT2CYP1A2
SCHEMBL4914815 0.78 ALDH1A1 (0.53) ALDH1A1POLBNPC1DGAT2CYP1A2
SCHEMBL15236978 0.78 POLB (0.65) ALDH1A1POLBNPC1CYP1A2CYP2C19
SCHEMBL16455681 0.78 ALDH1A1 (0.55) ALDH1A1POLBNPC1DGAT2KMT2A
SCHEMBL4916519 0.78 ALDH1A1 (0.53) ALDH1A1POLBNPC1DGAT2CYP1A2
SCHEMBL27335141 0.77 ALDH1A1 (0.59) ALDH1A1POLBNPC1DGAT2LMNA
SCHEMBL4914157 0.77 ALDH1A1 (0.57) ALDH1A1POLBNPC1DGAT2CYP1A2

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 8 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
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 1233/4885POLB 3655/4885NPC1 2845/4885

“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.