SCHEMBL2205585

SCHEMBL2205585

Cn1nnc(CC(=O)c2ccc(Cl)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.48
RAB9A P51151 8/20 0.47
NPC1 O15118 7/20 0.46
L3MBTL1 Q9Y468 4/20 0.46
MAPT P10636 3/20 0.45
MGAM O43451 2/20 0.45
AMY1A P0DUB6 2/20 0.45
GAA P10253 2/20 0.45
SI P14410 2/20 0.45
MGAM2 Q2M2H8 2/20 0.45
TSHR P16473 1/20 0.44
GSK3B P49841 2/20 0.43
HSD11B1 P28845 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ENPP3 O14638 1/20 0.40
ALPL P05186 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
SCHEMBL1449524 0.84 HPGD (0.66) HPGDRAB9AMAPTMGAMAMY1A
SCHEMBL2205869 0.73 LMNA (0.47) RAB9ANPC1L3MBTL1MAPTMGAM
SCHEMBL3363237 0.71 MGAM (0.45) HPGDRAB9ANPC1MGAMAMY1A
SCHEMBL4023150 0.70 SMN1; SMN2 (0.47) HPGDRAB9ANPC1L3MBTL1MAPT
SCHEMBL14267025 0.70 GAA (0.43) HPGDRAB9ANPC1L3MBTL1MAPT
SCHEMBL2204928 0.69 HTT (0.54) RAB9ANPC1L3MBTL1MAPTGSK3B
SCHEMBL23209625 0.69 RAB9A (0.49) HPGDRAB9ANPC1MAPTMGAM
SCHEMBL1753283 0.67 RAB9A (0.85) HPGDRAB9ANPC1L3MBTL1MAPT
SCHEMBL9667197 0.67 NPC1 (0.50) HPGDRAB9ANPC1L3MBTL1MAPT
SCHEMBL4860671 0.67 RAB9A (0.54) HPGDRAB9ANPC1L3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1670772-B1 DERIVATIVES OF 1,3-DIONES HAVING A HERBICIDAL ACTIVITY ISAGRO RICERCA SRL (IT) 2011-08-17 EP disclosed
US-7982047-B2 Derivatives of 1,3-diones having a herbicidal activity ISAGRO RICERCA S.R.L. (IT) 2011-07-19 US disclosed
US-7982047-B2 Derivatives of 1,3-diones having a herbicidal activity ISAGRO RICERCA S.R.L. (IT) 2011-07-19 US disclosed
US-7982047-B2 Derivatives of 1,3-diones having a herbicidal activity ISAGRO RICERCA S.R.L. (IT) 2011-07-19 US disclosed
US-7345009-B2 Reacting 4-phenyl pyraoline compound with phenyl isocyanate compound 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
US-20080064732-A1 Substituted 4-hetarylpyrazolines MAURER FRITZ 2008-03-13 US disclosed
US-20070015918-A1 Derivatives of 1,3-diones having a herbicidal activity ISAGRO RICERCA S.R.L (IT) 2007-01-18 US disclosed
US-20070015918-A1 Derivatives of 1,3-diones having a herbicidal activity ISAGRO RICERCA S.R.L (IT) 2007-01-18 US disclosed
US-20070015918-A1 Derivatives of 1,3-diones having a herbicidal activity ISAGRO RICERCA S.R.L (IT) 2007-01-18 US disclosed
CN-1646521-A Substituted 4-heteroarylpyrazolines as pest control agents BAYER CROPSCIENCE AG (DE) 2005-07-27 CN disclosed
US-20050119128-A1 Substituted 4-hetaryl-pyrazolines as pest control agents BAYER CROPSCIENCE AG (DE) 2005-06-02 US disclosed
EP-1474418-A1 SUBSTITUTED 4-HETARYL-PYRAZOLINES AS PEST CONTROL AGENTS Bayer CropScience Aktiengesellschaft (DE) 2004-11-10 EP disclosed
WO-2003066625-A1 SUBSTITUTED 4-HETARYL-PYRAZOLINES AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2003-08-14 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-20080064732-A1 Substituted 4-hetarylpyrazolines CYP4F3, CYP4X1, CYP4B1 HPGD 2160/4885RAB9A 363/4885NPC1 2611/4885
US-20050119128-A1 Substituted 4-hetaryl-pyrazolines as pest control agents CYP4X1, CYP4F3, DDT HPGD 2445/4885RAB9A 235/4885NPC1 3726/4885
US-20070015918-A1 Derivatives of 1,3-diones having a herbicidal activity DDT, CYP1B1, CYP51A1 HPGD 818/4885RAB9A 1773/4885NPC1 4594/4885

“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.