SCHEMBL6380899

SCHEMBL6380899

COC(=O)c1c[n+]([O-])ccc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
CFTR P13569 5/20 0.42
NOTUM Q6P988 2/20 0.41
ABL1 P00519 1/20 0.37
RIN1 Q13671 1/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
ATM Q13315 1/20 0.37
CES2 O00748 1/20 0.37
LMNA P02545 2/20 0.36
GAA P10253 1/20 0.36
P2RX7 Q99572 1/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35

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
SCHEMBL6991058 0.80 MEN1 (0.42) KDM4ECES2LMNAGAAP2RX7
SCHEMBL1011953 0.80 MAPT (0.54) MAPTCFTRABL1RIN1KDM4E
SCHEMBL4256899 0.79 CES2 (0.36) MAPTCES2LMNAGAAP2RX7
SCHEMBL9692230 0.77 MAPT (0.48) MAPTCFTRABL1RIN1KDM4E
SCHEMBL22717339 0.76 MAPT (0.47) MAPTCFTRABL1RIN1KDM4E
SCHEMBL31184904 0.73 MAPT (0.48) MAPTCFTRABL1RIN1KDM4E
SCHEMBL31184835 0.73 MAPT (0.48) MAPTCFTRABL1RIN1KDM4E
SCHEMBL45490 0.73 LMNA (0.59) MAPTCFTRNOTUMABL1KDM4E
SCHEMBL11391739 0.72 MAPT (0.47) MAPTCFTRABL1RIN1KDM4E
SCHEMBL31459377 0.72 NOTUM (0.41) MAPTCFTRNOTUMKDM4EGAA

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
EP-1114030-B1 PYRIDINE KETONES USEFUL AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2005-06-01 EP disclosed
US-6498125-B2 Pyridine ketones useful as herbicides SYNGENTA PARTICIPATIONS AG (CH) 2002-12-24 US disclosed
US-20020016345-A1 Pyridine ketones useful as herbicides SYNGENTA PARTICIPATIONS AG (CH) 2002-02-07 US disclosed
EP-1114030-A1 PYRIDINE KETONES USEFUL AS HERBICIDES Syngenta Participations AG (CH) 2001-07-11 EP disclosed
WO-2000015615-A1 PYRIDINE KETONES USEFUL AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2000-03-23 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-20020016345-A1 Pyridine ketones useful as herbicides DDT, PDHA1, IDH2 MAPT 3388/4885CFTR 3189/4885NOTUM 629/4885

“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.