SCHEMBL4179985

SCHEMBL4179985

CCOC(=O)c1cnc(C(OCC)OCC)nc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.50
NPSR1 Q6W5P4 1/20 0.50
NPC1 O15118 4/20 0.49
MAPT P10636 3/20 0.49
HSP90AA1 P07900 1/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 7/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
ATM Q13315 1/20 0.44
PKM P14618 1/20 0.44
TP53 P04637 1/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
CSNK1D P48730 1/20 0.43
ALOX15 P16050 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL4176051 0.88 HPGD (0.46) RAB9ANPSR1NPC1MAPTKDM4E
SCHEMBL4176813 0.87 RAB9A (0.38) RAB9ANPSR1NPC1MAPTHSP90AA1
SCHEMBL1669574 0.79 RAB9A (0.56) RAB9ANPSR1NPC1MAPTHSP90AA1
SCHEMBL30996914 0.79 RAB9A (0.56) RAB9ANPSR1NPC1MAPTHSP90AA1
SCHEMBL4752356 0.78 RAB9A (0.47) RAB9ANPSR1NPC1MAPTHSP90AA1
SCHEMBL4592965 0.78 RAB9A (0.55) RAB9ANPSR1NPC1MAPTHSP90AA1
SCHEMBL1143375 0.78 HSP90AA1 (0.70) RAB9ANPSR1NPC1MAPTHSP90AA1
SCHEMBL14327647 0.76 RAB9A (0.53) RAB9ANPSR1NPC1MAPTHSP90AA1
SCHEMBL3435395 0.76 RAB9A (0.53) RAB9ANPSR1NPC1MAPTHSP90AA1
SCHEMBL20476573 0.76 RAB9A (0.53) RAB9ANPSR1NPC1MAPTHSP90AA1

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-20090143410-A1 Isoxazolines for Controlling Invertebrate Pests E. I. DU PONT DE NEMOURS AND COMPANY 2009-06-04 US disclosed
CN-101330828-A Isoxazolines for controlling invertebrate pests DU PONT (US) 2008-12-24 CN 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 RAB9A 629/4885NPSR1 166/4885NPC1 2063/4885

“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.