SCHEMBL2363178

SCHEMBL2363178

Cn1nc(C(F)(F)F)c(C(F)(F)F)c1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
GLA P06280 1/20 0.36
CYP1A2 P05177 3/20 0.36
CYP2C19 P33261 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP2C9 P11712 1/20 0.35
GAA P10253 1/20 0.35
CYP2D6 P10635 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL13365039 0.89 PKM (0.38) PKMNPC1MAPTL3MBTL1POLB
SCHEMBL11899399 0.89 PKM (0.43) PKMNPC1MAPTL3MBTL1POLB
SCHEMBL2362708 0.87 L3MBTL1 (0.37) PKMNPC1MAPTL3MBTL1POLB
SCHEMBL2362702 0.85 MEN1 (0.38) PKMNPC1MAPTL3MBTL1POLB
SCHEMBL28015263 0.83 POLB (0.39) PKMNPC1MAPTL3MBTL1POLB
SCHEMBL4218277 0.83 MAPT (0.39) PKMMAPTL3MBTL1POLBTDP1
SCHEMBL19615372 0.81 MAPT (0.39) PKMNPC1MAPTL3MBTL1POLB
SCHEMBL8304642 0.81 KDM4E (0.43) PKMNPC1MAPTL3MBTL1POLB
SCHEMBL32691277 0.81 POLB (0.38) PKMNPC1MAPTL3MBTL1POLB
SCHEMBL16626084 0.80 PKM (0.50) PKMNPC1MAPTL3MBTL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2352723-B1 PESTICIDAL N-ARYL- OR N-HETEROARYL PYRAZOLE CARBOXAMIDE COMPOUNDS BAYER IP GMBH (DE) 2016-11-23 EP disclosed
EP-2686303-B1 N-(3-CARBAMOYLPHENYL)-1H-PYRAZOLE-5-CARBOXAMIDE DERIVATIVES AND THEIR USE FOR COMBATING ANIMAL PESTS BAYER IP GMBH (DE) 2016-01-20 EP disclosed
EP-2686303-B1 N-(3-CARBAMOYLPHENYL)-1H-PYRAZOLE-5-CARBOXAMIDE DERIVATIVES AND THEIR USE FOR COMBATING ANIMAL PESTS BAYER IP GMBH (DE) 2016-01-20 EP disclosed
US-9126945-B2 N-(3-carbamoylphenly)-1H-pyrazole-5-carboxamide derivatives and the use thereof for controlling animal pests BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-09-08 US disclosed
US-9126945-B2 N-(3-carbamoylphenly)-1H-pyrazole-5-carboxamide derivatives and the use thereof for controlling animal pests BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-09-08 US disclosed
CN-102317263-B Halogen substituted compounds as pesticides BAYER IP GMBH 2015-04-22 CN disclosed
US-20150099766-A1 Novel halogen-substituted compounds BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-09 US disclosed
US-8946234-B2 Halogen-substituted compounds BAYER CROPSCIENCE AG (DE) 2015-02-03 US disclosed
US-20140088153-A1 N-(3-CARBAMOYLPHENLY)-1H-PYRAZOLE-5-CARBOXAMIDE DERIVATIVES AND THE USE THEREOF FOR CONTROLLING ANIMAL PESTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-03-27 US disclosed
US-20140088153-A1 N-(3-CARBAMOYLPHENLY)-1H-PYRAZOLE-5-CARBOXAMIDE DERIVATIVES AND THE USE THEREOF FOR CONTROLLING ANIMAL PESTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-03-27 US disclosed
WO-2012126766-A1 N-(3-CARBAMOYLPHENYL)-1H-PYRAZOLE-5-CARBOXAMIDE DERIVATIVES AND THE USE THEREOF FOR CONTROLLING ANIMAL PESTS BAYER CROPSCIENCE AG (DE) 2012-09-27 WO disclosed
US-20110301181-A1 halogen-substituted compounds BAYER CROPSCIENCE AG (DE) 2011-12-08 US disclosed
EP-2352723-A2 HALOGEN-SUBSTITUTED COMPOUNDS USED AS PESTICIDES Bayer CropScience AG (DE) 2011-08-10 EP disclosed
WO-2010133312-A1 HALOGEN-SUBSTITUTED COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-11-25 WO disclosed
WO-2010133312-A1 HALOGEN-SUBSTITUTED COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-11-25 WO disclosed
WO-2010051926-A2 NEW HALOGEN-SUBSTITUTED BONDS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-05-14 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-20110301181-A1 halogen-substituted compounds L3MBTL4, QSOX1, L3MBTL3 PKM 2622/4885NPC1 2312/4885MAPT 4184/4885
US-20150099766-A1 Novel halogen-substituted compounds L3MBTL4, PRDX4, PRDX1 PKM 3155/4885NPC1 2168/4885MAPT 4164/4885
US-20140088153-A1 N-(3-CARBAMOYLPHENLY)-1H-PYRAZOLE-5-CARBOXAMIDE DERIVATIVES AND THE USE THEREOF FOR CONTROLLING ANIMAL PESTS CBR3, CYCS, CAT PKM 1286/4885NPC1 4048/4885MAPT 4175/4885

“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.