SCHEMBL3921171

SCHEMBL3921171

CCCCCCC1C[CH]C1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
EPHX1 P07099 1/20 0.41
CYP1A2 P05177 4/20 0.41
TSHR P16473 1/20 0.40
THRB P10828 1/20 0.40
ALOX5 P09917 1/20 0.35
LSS P48449 2/20 0.35
GBA1 P04062 3/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
SPHK1 Q9NYA1 2/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
SPHK2 Q9NRA0 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
SCHEMBL19406521 0.91 ALDH1A1 (0.41) ALDH1A1EPHX1CYP1A2TSHRTHRB
SCHEMBL8749582 0.90
SCHEMBL20873648 0.89 ALDH1A1 (0.40) ALDH1A1EPHX1CYP1A2TSHRTHRB
SCHEMBL28756382 0.84 EPHX1 (0.42) ALDH1A1EPHX1CYP1A2TSHRTHRB
SCHEMBL6718471 0.84 EPHX1 (0.42) ALDH1A1EPHX1CYP1A2TSHRTHRB
SCHEMBL25269130 0.84 EPHX1 (0.42) ALDH1A1EPHX1CYP1A2TSHRTHRB
SCHEMBL27871414 0.82 CYP1A2 (0.42) ALDH1A1EPHX1CYP1A2TSHRTHRB
SCHEMBL293603 0.82 ALDH1A1 (0.35) ALDH1A1EPHX1CYP1A2ALOX5SPHK1
SCHEMBL2369990 0.81 CYP1A2 (0.43) ALDH1A1EPHX1CYP1A2LSSMEN1
SCHEMBL294406 0.79 CYP1A2 (0.33) ALDH1A1EPHX1CYP1A2ALOX5SPHK1

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 58 patents — showing the first 20. 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-7629348-B2 Heterocyclic amide and imine derivatives, processes for their preparation, compositions comprising them and their use as pesticides MERIAL LIMITED (US) 2009-12-08 US disclosed
CN-100548987-C Parasiticidal derivative of pyridine carboxamide BAYER CROPSCIENCE GMBH (DE) 2009-10-14 CN 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
CN-101230038-A Pyridine carboxamide derivatives and their use as pesticides BAYER CROPSCIENCE GMBH (DE) 2008-07-30 CN disclosed
US-20080139627-A1 Heterocyclic amide and imine derivatives, processes for their preparation, compositions comprising them and their use as pesticides BECKMANN MARION 2008-06-12 US disclosed
US-20080097099-A1 Heterocyclic amide and imine derivatives, processes for their preparation, compositions comprising them and their use as pesticides BECKMANN MARION 2008-04-24 US disclosed
CN-100378076-C Pyridinecarboxamide derivatives and their use as pesticides BAYER CROPSCIENCE GMBH (DE) 2008-04-02 CN disclosed
EP-1432313-B1 N-THIO-NICOTINAMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE AS PESTICIDES MERIAL LTD (US) 2008-01-23 EP disclosed
WO-2001070692-A2 HETEROCYCLIC ACYLSULFIMIDES, A METHOD FOR THEIR PRODUCTION, AGENTS CONTAINING THE SAME AND THEIR USE AS PESTICIDES BAYER CROPSCIENCE GMBH (DE) 2001-09-27 WO disclosed
US-6239160-B1 4-haloalkyl-3-heterocyclylpyridines and 4-haloalkyl-5-heterocyclylpyrimidines, processes for their preparation, compositions comprising them, and their use as pesticides HOECHST SCHERING AGREVO GMBH (DE) 2001-05-29 US disclosed
EP-1083795-A2 METHOD FOR CONTROLLING PESTS IN CROP CULTURES Aventis CropScience GmbH (DE) 2001-03-21 EP disclosed
CN-1260793-A 4-haloalkyl-3-heterocyclyl pyridines and 4-haloalkyl-5-heterocyclyl pyrimidines, method for the production thereof, agents containing the same and use thereof as pesticides HOECHST SCHERING AGREVO GMBH (DE) 2000-07-19 CN disclosed
WO-2000035912-A1 4-TRIFLUOROMETHYL-3-OXAZOLYLPYRIDINES, METHOD FOR PRODUCING THEM, PRODUCTS CONTAINING THE SAME, AND THEIR USE AS PESTICIDES AVENTIS CROPSCIENCE GMBH (DE) 2000-06-22 WO disclosed
WO-2000035285-A1 4-HALOALKYL-3-HETEROCYCLYLPYRIDINES AND 4-HALOALKYL-5-HETEROCYCLYL-PYRIMIDINES AND THEIR USE AS REPELLENTS AVENTIS CROPSCIENCE GMBH (DE) 2000-06-22 WO disclosed
WO-2000035913-A1 4-TRIFLUOROMETHYL-3-OXADIAZOLYL PYRIDINES, METHODS FOR THE PRODUCTION THEREOF, AGENTS CONTAINING THESE COMPOUNDS, AND THEIR USE AS PESTICIDES AVENTIS CROPSCIENCE GMBH (DE) 2000-06-22 WO disclosed
EP-0991648-A1 4-HALOALKYL-3- HETEROCYCLYLPYRIDINES AND 4-HALOALKYL -5-HETEROCYCLYLPYRIDINES, METHOD FOR THE PRODUCTION THEREOF, AGENTS CONTAINING THE SAME AND THEIR USE AS PESTICIDES Hoechst Schering AgrEvo GmbH (DE) 2000-04-12 EP disclosed
WO-1999063829-A2 METHOD FOR CONTROLLING PESTS IN BT COTTON CULTURES AVENTIS CROPSCIENCE GMBH (DE) 1999-12-16 WO disclosed
WO-1998057969-A1 4-HALOALKYL-3- HETEROCYCLYLPYRIDINES AND 4-HALOALKYL -5-HETEROCYCLYLPYRIDINES, METHOD FOR THE PRODUCTION THEREOF, AGENTS CONTAINING THE SAME AND THEIR USE AS PESTICIDES HOECHST SCHERING AGREVO GMBH (DE) 1998-12-23 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 (2 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-20080139627-A1 Heterocyclic amide and imine derivatives, processes for their preparation, compositions comprising them and their use as pesticides ACHE, DDT, PIR ALDH1A1 1482/4885EPHX1 994/4885CYP1A2 12/4885
US-20080097099-A1 Heterocyclic amide and imine derivatives, processes for their preparation, compositions comprising them and their use as pesticides ACHE, DDT, PIR ALDH1A1 1101/4885EPHX1 887/4885CYP1A2 9/4885

“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.