SCHEMBL4138445

SCHEMBL4138445

N#CCNc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.51
ALDH1A1 P00352 4/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TP53 P04637 1/20 0.51
CYP3A4 P08684 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
BLM P54132 1/20 0.51
HIF1A Q16665 1/20 0.51
HSD17B10 Q99714 1/20 0.51
EPAS1 Q99814 1/20 0.51
POLB P06746 2/20 0.51
RAB9A P51151 2/20 0.49
HTT P42858 1/20 0.49
GAA P10253 6/20 0.49
EPHX2 P34913 1/20 0.47
LMNA P02545 2/20 0.46

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
SCHEMBL9780336 0.84 GAA (0.65) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL11090487 0.84 GAA (0.46) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL4233355 0.82 POLB (0.51) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL734644 0.80 ICMT (0.44) MAPTALDH1A1ALOX15TSHRRAB9A
SCHEMBL747450 0.79 POLB (0.59) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL6233494 0.78 POLB (0.58) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL13185886 0.77 GAA (0.70) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL12932849 0.76 POLB (0.53) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL12651873 0.76 MAPT (0.53) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL20334822 0.76 GAA (0.49) MAPTALDH1A1MEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090143454-A1 Pyrazoline Derivatives and Their Use As Pesticides BAYER CROPSCIENCE AG (DE) 2009-06-04 US disclosed
US-20090143454-A1 Pyrazoline Derivatives and Their Use As Pesticides BAYER CROPSCIENCE AG (DE) 2009-06-04 US disclosed
US-7345080-B2 Substituted 4-pyrazolyl pyrazonlines used for pest control BAYER CROPSCIENCE AG (DE) 2008-03-18 US disclosed
US-7345080-B2 Substituted 4-pyrazolyl pyrazonlines used for pest control BAYER CROPSCIENCE AG (DE) 2008-03-18 US disclosed
US-7345009-B2 Reacting 4-phenyl pyraoline compound with phenyl isocyanate compound BAYER CROPSCIENCE AG (DE) 2008-03-18 US disclosed
US-20080064732-A1 Substituted 4-hetarylpyrazolines MAURER FRITZ 2008-03-13 US disclosed
EP-1569909-B1 SUBSTITUTED PYRAZOLINE CARBOXANILIDES FOR USE AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2006-07-05 EP disclosed
US-20060128718-A1 Tetrahydropyridazine derivatives having a pesticidal effect BAYER CROPSCIENCE AG (DE) 2006-06-15 US disclosed
US-20060100260-A1 Substituted pyrazoline carboxanilides for use as pesticides BAYER CROSCIENCE AG (DE) 2006-05-11 US disclosed
EP-1569909-A1 SUBSTITUTED PYRAZOLINE CARBOXANILIDES FOR USE AS PESTICIDES Bayer CropScience AG (DE) 2005-09-07 EP disclosed
US-20050159603-A1 Substituted 4-pyrazolyl pyrazonlines used for pest control BAYER CROPSCIENCE AG (DE) 2005-07-21 US disclosed
US-20050119128-A1 Substituted 4-hetaryl-pyrazolines as pest control agents BAYER CROPSCIENCE AG (DE) 2005-06-02 US disclosed
EP-1478644-A1 SUBSTITUTED 4-PYRAZOLYL PYRAZOLINES USED FOR PEST CONTROL Bayer CropScience AG (DE) 2004-11-24 EP disclosed
EP-1474418-A1 SUBSTITUTED 4-HETARYL-PYRAZOLINES AS PEST CONTROL AGENTS Bayer CropScience Aktiengesellschaft (DE) 2004-11-10 EP disclosed
WO-2004052865-A1 SUBSTITUTED PYRAZOLINE CARBOXANILIDES FOR USE AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2004-06-24 WO disclosed
EP-1412334-A1 PYRAZOLINE DERIVATIVES AND THEIR USE AS PESTICIDES Bayer CropScience AG (DE) 2004-04-28 EP disclosed
WO-2003070724-A1 SUBSTITUTED 4-PYRAZOLYL PYRAZOLINES USED FOR PEST CONTROL BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2003-08-28 WO disclosed
WO-2003066625-A1 SUBSTITUTED 4-HETARYL-PYRAZOLINES AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2003-08-14 WO disclosed
WO-2003010148-A1 PYRAZOLINE DERIVATIVES AND THEIR USE AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2003-02-06 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 (6 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-20080064732-A1 Substituted 4-hetarylpyrazolines CYP4F3, CYP4X1, CYP4B1 MAPT 4736/4885ALDH1A1 1185/4885MEN1 2222/4885
US-20050159603-A1 Substituted 4-pyrazolyl pyrazonlines used for pest control L3MBTL4, L3MBTL3, PTMS MAPT 4147/4885ALDH1A1 2215/4885MEN1 3003/4885
US-20090143454-A1 Pyrazoline Derivatives and Their Use As Pesticides DDT, CHRM1, CHRM2 MAPT 4108/4885ALDH1A1 990/4885MEN1 2148/4885
US-20050119128-A1 Substituted 4-hetaryl-pyrazolines as pest control agents CYP4X1, CYP4F3, DDT MAPT 4785/4885ALDH1A1 1606/4885MEN1 3038/4885
US-20060100260-A1 Substituted pyrazoline carboxanilides for use as pesticides DDT, CHRM2, CHRM1 MAPT 4266/4885ALDH1A1 1840/4885MEN1 2209/4885
US-20060128718-A1 Tetrahydropyridazine derivatives having a pesticidal effect DDT, ACHE, RDX MAPT 3196/4885ALDH1A1 1579/4885MEN1 2497/4885

“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.