SCHEMBL4860671

SCHEMBL4860671

Cc1nnn(CC(=O)c2ccc(Cl)cc2)n1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.54
GAA P10253 3/20 0.51
MGAM O43451 2/20 0.51
AMY1A P0DUB6 2/20 0.51
SI P14410 2/20 0.51
MGAM2 Q2M2H8 2/20 0.51
HPGD P15428 1/20 0.50
NPC1 O15118 4/20 0.49
ALDH1A1 P00352 3/20 0.48
MAPT P10636 2/20 0.48
HTT P42858 1/20 0.48
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 2/20 0.43
GSK3B P49841 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL28979383 0.84 HPGD (0.69) RAB9AGAAMGAMAMY1ASI
SCHEMBL23209625 0.81 RAB9A (0.49) RAB9AGAAMGAMAMY1ASI
SCHEMBL21793669 0.74 KMT2A (0.55) RAB9AGAANPC1MAPTLMNA
SCHEMBL23232864 0.74 RAB9A (0.60) RAB9AGAAMGAMAMY1ASI
SCHEMBL4861387 0.73 MGAM (0.58) RAB9AGAAMGAMAMY1ASI
SCHEMBL6556649 0.72 MAPT (0.48) RAB9AGAAMGAMAMY1ASI
SCHEMBL11530650 0.70 KDR (0.53) RAB9AGAAMGAMAMY1ASI
SCHEMBL17504554 0.69 MEN1 (0.65) GAAHPGDALDH1A1MAPTHTT
SCHEMBL24139129 0.68 NPC1 (0.62) RAB9AGAAMGAMAMY1ASI
SCHEMBL23209619 0.68 HPGD (0.48) RAB9AGAAMGAMAMY1ASI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (2 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 RAB9A 363/4885GAA 2737/4885MGAM 3256/4885
US-20050119128-A1 Substituted 4-hetaryl-pyrazolines as pest control agents CYP4X1, CYP4F3, DDT RAB9A 235/4885GAA 3526/4885MGAM 3591/4885

“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.