SCHEMBL4179940

SCHEMBL4179940

CN(C)/C=C(/C(=O)C(F)(F)F)n1cncn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.57
MAPT P10636 6/20 0.47
RAB9A P51151 5/20 0.47
PKM P14618 5/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
HTT P42858 5/20 0.47
NPC1 O15118 4/20 0.47
MITF O75030 1/20 0.47
ATM Q13315 4/20 0.45
HPGD P15428 4/20 0.41
TP53 P04637 2/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
XBP1 P17861 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
S1PR2 O95136 1/20 0.39
S1PR4 O95977 1/20 0.39
S1PR1 P21453 1/20 0.39
AGTR1 P30556 1/20 0.39

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
SCHEMBL4179945 1.00 LMNA (0.57) LMNAMAPTRAB9APKMSMN1; SMN2
SCHEMBL10940657 0.86 MAPT (0.62) LMNAMAPTRAB9APKMSMN1; SMN2
SCHEMBL2571669 0.74 LMNA (0.54) LMNAMAPTRAB9APKMSMN1; SMN2
SCHEMBL10383576 0.73 RAB9A (0.57) LMNAMAPTRAB9APKMSMN1; SMN2
SCHEMBL10383575 0.73 RAB9A (0.57) LMNAMAPTRAB9APKMSMN1; SMN2
SCHEMBL11150916 0.67 ALDH1A1 (0.73) LMNAMAPTRAB9APKMSMN1; SMN2
SCHEMBL11080873 0.67 ALDH1A1 (0.73) LMNAMAPTRAB9APKMSMN1; SMN2
SCHEMBL10944619 0.67 MAPT (0.61) LMNAMAPTRAB9APKMSMN1; SMN2
SCHEMBL8781989 0.66 MAPT (0.77) LMNAMAPTRAB9APKMSMN1; SMN2
SCHEMBL8781988 0.66 MAPT (0.77) LMNAMAPTRAB9APKMSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090143410-A1 Isoxazolines for Controlling Invertebrate Pests E. I. DU PONT DE NEMOURS AND COMPANY 2009-06-04 US disclosed
EP-1965645-A2 ISOXAZOLINES FOR CONTROLLING INVERTEBRATE PESTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-09-10 EP disclosed
WO-2007070606-A2 ISOXAZOLINES FOR CONTROLLING INVERTEBRATE PESTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-06-21 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-20090143410-A1 Isoxazolines for Controlling Invertebrate Pests CBR3, RTN3, HCN3 LMNA 3367/4885MAPT 4883/4885RAB9A 629/4885

“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.