SCHEMBL784677

SCHEMBL784677

CCC(=O)Cc1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2D6 P10635 2/20 0.56
CYP2C19 P33261 2/20 0.56
GLA P06280 1/20 0.53
AGBL2 Q5U5Z8 1/20 0.52
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
NPSR1 Q6W5P4 2/20 0.52
HTT P42858 1/20 0.52
RAB9A P51151 1/20 0.52
CYP2C9 P11712 1/20 0.52
MAPT P10636 2/20 0.50
POLB P06746 1/20 0.50
ALDH1A1 P00352 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL14920934 0.85 CYP1A2 (0.58) CYP1A2CYP3A4CYP2D6CYP2C19GLA
SCHEMBL27716277 0.83 AGBL2 (0.69) CYP1A2CYP3A4CYP2D6CYP2C19GLA
SCHEMBL3422410 0.82 HTT (0.57) CYP1A2CYP3A4CYP2D6CYP2C19GLA
SCHEMBL4376390 0.82 L3MBTL1 (0.64) CYP1A2CYP3A4CYP2D6CYP2C19GLA
SCHEMBL20972172 0.81 LMNA (0.61) CYP1A2CYP3A4CYP2D6CYP2C19GLA
SCHEMBL28336927 0.80 MEN1 (0.53) CYP1A2CYP3A4CYP2D6CYP2C19AGBL2
SCHEMBL30861677 0.79 TDP1 (0.58) CYP1A2CYP3A4CYP2D6CYP2C19AGBL2
SCHEMBL30861680 0.79 TDP1 (0.58) CYP1A2CYP3A4CYP2D6CYP2C19AGBL2
SCHEMBL9290492 0.79 TDP1 (0.58) CYP1A2CYP3A4CYP2D6CYP2C19AGBL2
Ammonia Solution, Strong SCHEMBL20298816 0.78 TDP1 (0.56) CYP1A2CYP3A4CYP2D6CYP2C19MEN1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9301526-B2 Compounds with nematicidal activity BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-04-05 US disclosed
EP-1694648-B1 2-PYRIDINYLETHYLBENZAMIDE DERIVATIVES BAYER SAS (FR) 2015-07-29 EP disclosed
US-20140256728-A1 COMPOUNDS WITH NEMATICIDAL ACTIVITY BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-09-11 US disclosed
EP-2773215-A2 COMPOUNDS WITH NEMATICIDAL ACTIVITY Bayer Intellectual Property GmbH (DE) 2014-09-10 EP disclosed
EP-2773203-A1 COMPOUNDS WITH NEMATICIDAL ACTIVITY Bayer Intellectual Property GmbH (DE) 2014-09-10 EP disclosed
US-20140249149-A1 Compounds with Nematicidal Activity BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-09-04 US disclosed
EP-1694649-B1 2-PYRIDINYLETHYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES BAYER SAS (FR) 2014-01-22 EP disclosed
EP-2606728-A1 Compounds with nematicidal activity Bayer CropScience AG (DE) 2013-06-26 EP disclosed
EP-2606727-A1 Compounds with nematicidal activity Bayer CropScience AG (DE) 2013-06-26 EP disclosed
WO-2013064461-A2 COMPOUNDS WITH NEMATICIDAL ACTIVITY BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-10 WO disclosed
CN-100471839-C 2-pyridinylethylbenzamide derivatives BAYER CROPSCIENCE SA (FR) 2009-03-25 CN disclosed
US-20070117845-A1 2-Pyridinylethylcarboxamide derivatives and their use as fungicides BAYER CROPSCIENCE S.A. (FR) 2007-05-24 US disclosed
US-20070099965-A1 2-Pyridinylethylbenzamide derivatives BAYER SAS (FR) 2007-05-03 US disclosed
CN-1898210-A 2-pyridinylethylcarboxamide derivatives and their use as fungicides BAYER CROPSCIENCE SA (FR) 2007-01-17 CN disclosed
CN-1898207-A 2-pyridinylethylbenzamide derivatives BAYER CROPSCIENCE SA (FR) 2007-01-17 CN disclosed
EP-1694648-A1 2-PYRIDINYLETHYLBENZAMIDE DERIVATIVES Bayer CropScience S.A. (FR) 2006-08-30 EP disclosed
EP-1694649-A1 2-PYRIDINYLETHYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES Bayer CropScience S.A. (FR) 2006-08-30 EP disclosed
WO-2005058828-A1 2-PYRIDINYLETHYLBENZAMIDE DERIVATIVES BAYER CROPSCIENCE S.A. (FR) 2005-06-30 WO disclosed
WO-2005058833-A1 2-PYRIDINYLETHYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2005-06-30 WO disclosed
EP-1548007-A1 2-Pyridinylethylcarboxamide derivatives and their use as fungicides Bayer CropScience S.A. (FR) 2005-06-29 EP 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 (4 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-20140256728-A1 COMPOUNDS WITH NEMATICIDAL ACTIVITY ACHE, TUBA3C, NAAA CYP1A2 714/4885CYP3A4 852/4885CYP2D6 1494/4885
US-20070117845-A1 2-Pyridinylethylcarboxamide derivatives and their use as fungicides CYP1A2, PNPO, PFAS CYP1A2 1/4885CYP3A4 15/4885CYP2D6 60/4885
US-20140249149-A1 Compounds with Nematicidal Activity ACHE, NAAA, TUBA3C CYP1A2 947/4885CYP3A4 874/4885CYP2D6 1647/4885
US-20070099965-A1 2-Pyridinylethylbenzamide derivatives CYP1A2, CYP4B1, CYP4F2 CYP1A2 1/4885CYP3A4 14/4885CYP2D6 50/4885

“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.