SCHEMBL21361253

SCHEMBL21361253

Cc1cc(-c2ncc(F)cn2)cc(C)c1C1C(=O)CC2(CCN(C(=O)NC(C)(C)C)CC2)CC1=O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.36
CSNK1E P49674 8/20 0.35
CSNK1D P48730 5/20 0.35
NAMPT P43490 3/20 0.34
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC1 Q13547 1/20 0.33
PIK3R1 P27986 2/20 0.32
PIK3CA P42336 2/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL21361239 0.89 ABL1 (0.33) SPRHDAC2HDAC1CYP3A4
SCHEMBL21361222 0.87 SPR (0.35) SPRHDAC2HDAC1CYP3A4
SCHEMBL21361255 0.87 HDAC2 (0.42) CSNK1ECSNK1DHDAC2HDAC1
SCHEMBL21357467 0.86 SPR (0.37) SPRCYP3A4
SCHEMBL24120097 0.85 CSNK1E (0.35) SPRCSNK1ECSNK1D
SCHEMBL21361241 0.84 ALDH1A1 (0.37) SPRGAA
SCHEMBL21361242 0.83 SPR (0.35) SPRCYP3A4
SCHEMBL21361251 0.82 CYP3A4 (0.42) CYP3A4
SCHEMBL21361240 0.81 HSD17B10 (0.43) CYP3A4
SCHEMBL21361309 0.80 CYP2D6 (0.35) SPR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3765445-B1 SPIRO CYCLOHEXANEDIONE DERIVATES AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2023-08-30 EP disclosed
US-20210000113-A1 SPIRO CYCLOHEXANEDIONE DERIVATES AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2021-01-07 US disclosed
WO-2019175117-A1 SPIRO CYCLOHEXANEDIONE DERIVATES AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2019-09-19 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-20210000113-A1 SPIRO CYCLOHEXANEDIONE DERIVATES AS HERBICIDES CBR3, DDT, CBR1 SPR 319/4885CSNK1E 3072/4885CSNK1D 1830/4885

“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.