SCHEMBL4153053

SCHEMBL4153053

N#Cc1cnn(CC(=O)c2ccc(Cl)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
MITF O75030 1/20 0.46
S1PR4 O95977 1/20 0.46
TP53 P04637 1/20 0.46
S1PR1 P21453 1/20 0.46
HTT P42858 1/20 0.46
ALPI P09923 1/20 0.42
ALPG P10696 1/20 0.42
PLAA Q9Y263 1/20 0.42
RAB9A P51151 5/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
NPC1 O15118 5/20 0.40
GSK3B P49841 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL5138924 0.86 POLB (0.45) ALPIALPGPLAALMNA
SCHEMBL5697676 0.82 HSD17B10 (0.56) SMN1; SMN2ALDH1A1MAPTMITFS1PR4
SCHEMBL4130206 0.78 HSD17B10 (0.52) SMN1; SMN2ALDH1A1MAPTMITFS1PR4
SCHEMBL4145138 0.75 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1MAPTMITFS1PR4
SCHEMBL24506420 0.74 GABRD (0.40) SMN1; SMN2ALDH1A1MAPTMITFS1PR4
SCHEMBL27628175 0.74 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1MAPTMITFS1PR4
SCHEMBL9373442 0.72 F2 (0.57) SMN1; SMN2ALDH1A1MAPTMITFS1PR4
SCHEMBL31055029 0.72 POLB (0.56) SMN1; SMN2ALDH1A1MAPTALPIALPG
SCHEMBL14267026 0.71 RPA1 (0.50) SMN1; SMN2ALDH1A1MAPTMITFS1PR4
SCHEMBL20547722 0.71 GSK3B (0.59) SMN1; SMN2MAPTTP53HTTRAB9A

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 17 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-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
CN-100349891-C Substituted 4-pyrazolyl pyrazolines for pest control agents BAYER CROPSCIENCE AG (DE) 2007-11-21 CN disclosed
CN-1271058-C Pyrazoline derivatives and their use as pesticides BAYER CROPSCIENCE AG (DE) 2006-08-23 CN disclosed
CN-1646523-A Substituted 4-pyrazolyl pyrazolines for pest control agents BAYER CROPSCIENCE AG (DE) 2005-07-27 CN disclosed
US-20050159603-A1 Substituted 4-pyrazolyl pyrazonlines used for pest control BAYER CROPSCIENCE AG (DE) 2005-07-21 US disclosed
CN-1642919-A Pyrazolines for use as pesticides BAYER CROPSCIENCE AG (DE) 2005-07-20 CN disclosed
US-20050107456-A1 Substituted pyrazolines for use as pesticides BAYER CROPSCIENCE AG (DE) 2005-05-19 US disclosed
CN-1555363-A Pyrazoline derivatives and their use as pesticides �ݶ�ũ�����ѧ�ɷݹ�˾ 2004-12-15 CN disclosed
EP-1478644-A1 SUBSTITUTED 4-PYRAZOLYL PYRAZOLINES USED FOR PEST CONTROL Bayer CropScience AG (DE) 2004-11-24 EP disclosed
EP-1467971-A1 SUBSTITUTED PYRAZOLINES FOR USE AS PESTICIDES Bayer CropScience AG (DE) 2004-10-20 EP 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-2003059887-A1 SUBSTITUTED PYRAZOLINES FOR USE AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2003-07-24 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 (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-20050107456-A1 Substituted pyrazolines for use as pesticides DDT, ACHE, CHRM1 SMN1; SMN2 2827/4885ALDH1A1 952/4885MAPT 4247/4885
US-20050159603-A1 Substituted 4-pyrazolyl pyrazonlines used for pest control L3MBTL4, L3MBTL3, PTMS SMN1; SMN2 3460/4885ALDH1A1 2215/4885MAPT 4147/4885
US-20090143454-A1 Pyrazoline Derivatives and Their Use As Pesticides DDT, CHRM1, CHRM2 SMN1; SMN2 3600/4885ALDH1A1 990/4885MAPT 4108/4885

“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.