SCHEMBL4430964

SCHEMBL4430964

O=C(NC(=S)OCC(F)(F)F)c1cnccc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49
ALDH1A1 P00352 2/20 0.45
MAPT P10636 1/20 0.41
DGAT2 Q96PD7 1/20 0.40
ADRB2 P07550 1/20 0.37
S1PR1 P21453 1/20 0.37
GPR183 P32249 1/20 0.37
APLNR P35414 1/20 0.37
S1PR5 Q9H228 1/20 0.37
RBP4 P02753 1/20 0.37
SSTR4 P31391 5/20 0.35
GAA P10253 1/20 0.34
SGMS2 Q8NHU3 1/20 0.34
NTRK1 P04629 1/20 0.34
P2RX1 P51575 1/20 0.34
NOTUM Q6P988 1/20 0.33
NAMPT P43490 1/20 0.33

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
SCHEMBL5794135 0.89 NPC1 (0.48) NPC1POLBALDH1A1MAPTDGAT2
SCHEMBL9018014 0.85 NPC1 (0.52) NPC1POLBALDH1A1MAPTDGAT2
SCHEMBL15244373 0.82 NPC1 (0.62) NPC1POLBALDH1A1MAPTDGAT2
SCHEMBL3692138 0.81 NPC1 (0.56) NPC1POLBALDH1A1MAPTDGAT2
SCHEMBL3692136 0.78 NPC1 (0.58) NPC1POLBALDH1A1MAPTDGAT2
SCHEMBL9018351 0.78 NPC1 (0.58) NPC1POLBALDH1A1MAPTDGAT2
SCHEMBL5630578 0.77 NPC1 (0.52) NPC1POLBALDH1A1MAPTDGAT2
SCHEMBL3689970 0.77 NPC1 (0.58) NPC1POLBALDH1A1MAPTDGAT2
SCHEMBL15244314 0.76 NPC1 (0.57) NPC1POLBALDH1A1MAPTDGAT2
SCHEMBL3761522 0.76 POLB (0.57) NPC1POLBALDH1A1MAPTDGAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1507761-B1 PYRIDINE CARBOXAMIDE DERIVATIVES AND THEIR USE AS PESTICIDES MERIAL INC (US) 2016-02-24 EP disclosed
US-7476685-B2 Pyridine carboxamide derivatives and their use as pesticides MERIAL LIMITED (US) 2009-01-13 US disclosed
CN-101230038-A Pyridine carboxamide derivatives and their use as pesticides BAYER CROPSCIENCE GMBH (DE) 2008-07-30 CN disclosed
CN-100378076-C Pyridinecarboxamide derivatives and their use as pesticides BAYER CROPSCIENCE GMBH (DE) 2008-04-02 CN disclosed
US-20060166991-A1 Pyridine carboxamide derivatives and their use as pesticides BAYER CROPSCIENCE GMBH (DE) 2006-07-27 US disclosed
CN-1653048-A Pyridinecarboxamide derivatives and their use as pesticides BAYER CROPSCIENCE GMBH (DE) 2005-08-10 CN disclosed
EP-1507761-A1 PYRIDINE CARBOXAMIDE DERIVATIVES AND THEIR USE AS PESTICIDES Bayer CropScience GmbH (DE) 2005-02-23 EP disclosed
WO-2003097604-A9 PYRIDINE CARBOXAMIDE DERIVATIVES AND THEIR USE AS PESTICIDES BAYER CROPSCIENCE GMBH (DE) 2004-05-06 WO disclosed
WO-2003097604-A1 PYRIDINE CARBOXAMIDE DERIVATIVES AND THEIR USE AS PESTICIDES BAYER CROPSCIENCE GMBH (DE) 2003-11-27 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-20060166991-A1 Pyridine carboxamide derivatives and their use as pesticides DDT, ACHE, CYCS NPC1 4667/4885POLB 4540/4885ALDH1A1 1026/4885

“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.