SCHEMBL5440798

SCHEMBL5440798

CCOC(=O)c1ccc(C(F)(F)F)cn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.57
KMT2A Q03164 2/20 0.57
GAA P10253 1/20 0.57
MAPT P10636 4/20 0.55
KDM4E B2RXH2 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
NPC1 O15118 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
RAB9A P51151 1/20 0.55
HPGD P15428 1/20 0.53
GABRP O00591 5/20 0.49
GABRD O14764 5/20 0.49
GABRA1 P14867 5/20 0.49
GABRB1 P18505 5/20 0.49
GABRG2 P18507 5/20 0.49
GABRB3 P28472 5/20 0.49
GABRA5 P31644 5/20 0.49
GABRA3 P34903 5/20 0.49
GABRA2 P47869 5/20 0.49
GABRB2 P47870 5/20 0.49

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
SCHEMBL29664542 1.00 POLB (0.57) POLBKMT2AGAAMAPTKDM4E
SCHEMBL15119910 0.86 GABRA1 (0.49) POLBKMT2AGAAMAPTKDM4E
SCHEMBL472553 0.82 KMT2A (0.62) POLBKMT2AGAAMAPTKDM4E
SCHEMBL30397090 0.82 KMT2A (0.62) POLBKMT2AGAAMAPTKDM4E
SCHEMBL16635110 0.81 KDM4E (0.58) POLBKMT2AGAAMAPTKDM4E
Ammonia Solution, Strong SCHEMBL28197882 0.81 KMT2A (0.60) POLBKMT2AGAAMAPTKDM4E
SCHEMBL2140228 0.81 NPC1 (0.50) KMT2AMAPTKDM4ESMN1; SMN2NPC1
SCHEMBL13969985 0.80 GABRA1 (0.44) POLBGAAMAPTKDM4ESMN1; SMN2
SCHEMBL30450401 0.79 POLB (0.50) POLBKMT2AGAAMAPTKDM4E
SCHEMBL22413472 0.79 POLB (0.50) POLBKMT2AGAAMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070167631-A1 Novel herbicides Luthy, Christoph (CH) 2007-07-19 US disclosed
EP-1692108-A1 NOVEL HERBICIDES Syngenta Participations AG (CH) 2006-08-23 EP disclosed
WO-2005058830-A1 NOVEL HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2005-06-30 WO disclosed
WO-2005058831-A1 NOVEL HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2005-06-30 WO disclosed
WO-2005058037-A1 PICOLINYLPYRAZOLES AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2005-06-30 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 (1 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-20070167631-A1 Novel herbicides DDT, CYP1A1, CYP1B1 POLB 4171/4885KMT2A 1038/4885GAA 1008/4885

“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.