SCHEMBL5420508

SCHEMBL5420508

Cn1c(C(F)(F)F)nn(-c2ccc(C#N)c(Cl)c2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.47
AR P10275 10/20 0.46
CYP11B2 P19099 1/20 0.42

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
SCHEMBL5421340 0.78 MYC (0.47) CTSK
SCHEMBL6498158 0.77 DHODH (0.38) CTSK
SCHEMBL6495847 0.75 AR (0.44) CTSKAR
SCHEMBL5416536 0.75 L3MBTL1 (0.54) CTSK
SCHEMBL6494602 0.72 CTSK (0.50) CTSKAR
SCHEMBL6103445 0.72 DHODH (0.42) CTSK
SCHEMBL6506687 0.72 CTSK (0.44) CTSKAR
SCHEMBL6137015 0.71 HPD (0.40)
SCHEMBL6497436 0.70 CTSK (0.42) CTSKARCYP11B2
SCHEMBL21001114 0.70 CTSK (0.37) CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7279444-B2 Substituted benzoylpyrazoles BAYER CROPSCIENCE GMBH (DE) 2007-10-09 US disclosed
US-6924251-B1 Substituted benzoylcyclohexandiones BAYER AKTIENGESELLSCHAFT (DE) 2005-08-02 US disclosed
EP-1100789-B1 SUBSTITUTED BENZOYLCYCLOHEXANDIONES BAYER CROPSCIENCE AG (DE) 2005-02-09 EP disclosed
US-20040248740-A1 Substituted benzoylpyrazoles MULLER KLAUS-HELMUT (DE) 2004-12-09 US disclosed
US-6762152-B1 FOUR TO SEVEN MEMBERED HETEROCYCLES SUBSTITUTED ON BENZENE RING; REACTION OF A KETONE WITH A SUBSTITUTED BENZOIC ACID BAYER AKTIENGESELLSCHAFT (DE) 2004-07-13 US disclosed
US-6746989-B1 HAVE STRONG HERBICIDAL ACTIVITY AND BROAD ACTIVITY SPECTRUM WHEN APPLIED TO SOIL AND ON ABOVE-GROUND PARTS OF PLANTS BAYER AKTIENGESELLSCHAFT (DE) 2004-06-08 US disclosed
EP-1165547-B1 SUBSTITUTED BENZOYLPYRAZOLES AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2003-08-27 EP disclosed
EP-1181280-A1 SUBSTITUTED BENZOYL KETONES, METHODS FOR PRODUCING THEM AND THEIR USE AS HERBICIDES Bayer Aktiengesellschaft (DE) 2002-02-27 EP disclosed
EP-1165547-A1 SUBSTITUTED BENZOYLPYRAZOLES AS HERBICIDES Bayer Aktiengesellschaft (DE) 2002-01-02 EP disclosed
CN-1310714-A Substituted Benzoylcyclohexanediones BAYER AG (DE) 2001-08-29 CN disclosed
EP-1100789-A1 SUBSTITUTED BENZOYLCYCLOHEXANDIONES BAYER AG (DE) 2001-05-23 EP disclosed
WO-2000068204-A1 SUBSTITUTED BENZOYL KETONES, METHODS FOR PRODUCING THEM AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2000-11-16 WO disclosed
WO-2000058306-A1 SUBSTITUTED BENZOYLPYRAZOLES AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2000-10-05 WO disclosed
WO-2000005221-A1 SUBSTITUTED BENZOYLCYCLOHEXANDIONES BAYER AKTIENGESELLSCHAFT (DE) 2000-02-03 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-20040248740-A1 Substituted benzoylpyrazoles CYP1B1, CYP1A1, CYP2E1 CTSK 3079/4885AR 1835/4885CYP11B2 175/4885

“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.