SCHEMBL3915938

SCHEMBL3915938

O=C(N=C=S)c1cnccc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
RBP4 P02753 1/20 0.41
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.39
GAA P10253 2/20 0.36
DHODH Q02127 1/20 0.34
DGAT2 Q96PD7 1/20 0.33
P2RX1 P51575 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
SIRT3 Q9NTG7 1/20 0.33
CES2 O00748 1/20 0.33
NAMPT P43490 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32

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
Trifluoroethanol SCHEMBL4421337 0.93 NPC1 (0.41) NPC1POLBRBP4MAPTALDH1A1
SCHEMBL4419886 0.86 NPC1 (0.47) NPC1POLBRBP4MAPTALDH1A1
Acetonitrile SCHEMBL28767810 0.80 NPC1 (0.42) NPC1POLBRBP4MAPTALDH1A1
SCHEMBL27336380 0.78 NPC1 (0.45) NPC1POLBRBP4MAPTALDH1A1
SCHEMBL2015042 0.78 LMNA (0.50) GAALMNA
SCHEMBL13760452 0.77 NPC1 (0.47) NPC1POLBRBP4MAPTALDH1A1
SCHEMBL27743576 0.77 NPC1 (0.55) NPC1POLBRBP4MAPTALDH1A1
SCHEMBL7102448 0.76 ROCK2 (0.47) NPC1POLBMAPTALDH1A1GAA
SCHEMBL7099800 0.76 KDM4C (0.36) MAPTALDH1A1GAATDP1SIRT3
SCHEMBL15514535 0.75 NPC1 (0.54) NPC1POLBRBP4MAPTALDH1A1

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 20 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 claimed
US-20060166991-A1 Pyridine carboxamide derivatives and their use as pesticides BAYER CROPSCIENCE GMBH (DE) 2006-07-27 US claimed
EP-1507761-A1 PYRIDINE CARBOXAMIDE DERIVATIVES AND THEIR USE AS PESTICIDES Bayer CropScience GmbH (DE) 2005-02-23 EP claimed
WO-2003097604-A9 PYRIDINE CARBOXAMIDE DERIVATIVES AND THEIR USE AS PESTICIDES BAYER CROPSCIENCE GMBH (DE) 2004-05-06 WO claimed
WO-2003097604-A1 PYRIDINE CARBOXAMIDE DERIVATIVES AND THEIR USE AS PESTICIDES BAYER CROPSCIENCE GMBH (DE) 2003-11-27 WO claimed
EP-1507761-B1 PYRIDINE CARBOXAMIDE DERIVATIVES AND THEIR USE AS PESTICIDES MERIAL INC (US) 2016-02-24 EP disclosed
US-7560456-B2 Pesticidal pyridinecarboxamide derivatives MERIAL LIMITED (US) 2009-07-14 US disclosed
US-7476685-B2 Pyridine carboxamide derivatives and their use as pesticides MERIAL LIMITED (US) 2009-01-13 US disclosed
US-20070010532-A1 3-Pyridylcarboxamide derivatives as pesticidal agents BAYER CROPSCIENCE GMBH (DE) 2007-01-11 US disclosed
CN-1845919-A 3-pyridylcarboxamide derivatives as pesticides BAYER CROPSCIENCE GMBH (DE) 2006-10-11 CN disclosed
EP-1507762-B1 PESTICIDAL PYRIDINECARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE GMBH (DE) 2006-08-02 EP disclosed
US-20060166991-A1 Pyridine carboxamide derivatives and their use as pesticides BAYER CROPSCIENCE GMBH (DE) 2006-07-27 US disclosed
EP-1644354-A1 3-PYRIDYLCARBOXAMIDE DERIVATIVES AS PESTICIDAL AGENTS Bayer CropScience GmbH (DE) 2006-04-12 EP disclosed
US-20050227970-A1 Pesticidal pyridinecarboxamide derivatives MERIAL LIMITED 2005-10-13 US disclosed
EP-1507762-A1 PESTICIDAL PYRIDINECARBOXAMIDE DERIVATIVES Bayer CropScience GmbH (DE) 2005-02-23 EP disclosed
EP-1507761-A1 PYRIDINE CARBOXAMIDE DERIVATIVES AND THEIR USE AS PESTICIDES Bayer CropScience GmbH (DE) 2005-02-23 EP disclosed
WO-2005005412-A1 3-PYRIDYLCARBOXAMIDE DERIVATIVES AS PESTICIDAL AGENTS BAYER CROPSCIENCE GMBH (DE) 2005-01-20 WO 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
WO-2003097605-A1 PESTICIDAL PYRIDINECARBOXAMIDE DERIVATIVES 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 (3 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 4540/4885RBP4 3063/4885
US-20050227970-A1 Pesticidal pyridinecarboxamide derivatives DDT, ACHE, PTMS NPC1 4676/4885POLB 4749/4885RBP4 4011/4885
US-20070010532-A1 3-Pyridylcarboxamide derivatives as pesticidal agents DDT, PLPBP, ACHE NPC1 4590/4885POLB 4556/4885RBP4 3436/4885

“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.