SCHEMBL21361256

SCHEMBL21361256

Cc1cc(-c2ccc(F)cc2)cc(C)c1C1C(=O)CC2(CCN(C(=O)CC#N)CC2)CC1=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 5/20 0.38
HDAC2 Q92769 3/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
IRAK4 Q9NWZ3 4/20 0.36
RORC P51449 2/20 0.35
CCNT1 O60563 2/20 0.35
CDK9 P50750 2/20 0.35
JAK2 O60674 2/20 0.35
JAK3 P52333 2/20 0.35
NR1I2 O75469 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
JAK1 P23458 1/20 0.34

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
SCHEMBL21361267 0.93 CCNT1 (0.39) GRIN2BHDAC2ALDH1A1IRAK4CCNT1
SCHEMBL24120475 0.90 RORC (0.36) GRIN2BHDAC2KDM4EMEN1ALDH1A1
SCHEMBL21361224 0.87 JAK1 (0.39) GRIN2BIRAK4CCNT1CDK9JAK2
SCHEMBL21343687 0.86 KDM4E (0.39) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL21361246 0.85 CYP3A4 (0.47) MEN1ALDH1A1KMT2A
SCHEMBL21361289 0.85 HDAC2 (0.42) HDAC2MEN1ALDH1A1KMT2A
SCHEMBL24120480 0.83 CCNT1 (0.38) GRIN2BHDAC2MAPTRORCCCNT1
SCHEMBL21361248 0.82 HDAC2 (0.37) HDAC2
SCHEMBL21361249 0.82 HDAC2 (0.38) HDAC2ALDH1A1
SCHEMBL21361254 0.82 RORC (0.40) HDAC2MEN1ALDH1A1KMT2ARORC

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 GRIN2B 2515/4885HDAC2 964/4885KDM4E 1227/4885

“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.