SCHEMBL21361247

SCHEMBL21361247

Cc1cc(-c2ncc(F)cn2)cc(C)c1C1C(=O)CC2(CCN(C(=O)c3ccccn3)CC2)CC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
CYP3A4 P08684 9/20 0.41
ALDH1A1 P00352 6/20 0.41
HSD17B10 Q99714 5/20 0.41
CYP2D6 P10635 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
HPGD P15428 3/20 0.41
TSHR P16473 3/20 0.41
GAA P10253 2/20 0.41
CCR8 P51685 1/20 0.41
KCNH2 Q12809 1/20 0.41
CYP2C9 P11712 4/20 0.40
RBP4 P02753 2/20 0.39
CYP2C19 P33261 4/20 0.39
CYP1A2 P05177 4/20 0.39
EPHX2 P34913 1/20 0.38
USP2 O75604 1/20 0.37
MAPK1 P28482 1/20 0.37
NAMPT P43490 1/20 0.37
DPP4 P27487 1/20 0.37

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
SCHEMBL21361306 0.90 GAA (0.44) L3MBTL1CYP3A4ALDH1A1HSD17B10CYP2D6
SCHEMBL21361231 0.89 TNKS2 (0.36) CYP3A4ALDH1A1HSD17B10CYP2D6SMN1; SMN2
SCHEMBL21361251 0.89 CYP3A4 (0.42) CYP3A4ALDH1A1HSD17B10CYP2D6SMN1; SMN2
SCHEMBL24120300 0.85 RBP4 (0.38) L3MBTL1CYP3A4GAACCR8KCNH2
SCHEMBL22954966 0.84 GAA (0.43) L3MBTL1CYP2D6SMN1; SMN2GAACYP2C9
SCHEMBL21361259 0.84 CCR8 (0.47) L3MBTL1CYP3A4ALDH1A1CYP2D6GAA
SCHEMBL21357467 0.84 SPR (0.37) CYP3A4ALDH1A1HSD17B10CYP2D6SMN1; SMN2
SCHEMBL21361241 0.82 ALDH1A1 (0.37) ALDH1A1GAA
SCHEMBL21344636 0.82 L3MBTL1 (0.44) L3MBTL1CYP3A4ALDH1A1HSD17B10CYP2D6
SCHEMBL24120386 0.81 RBP4 (0.40) L3MBTL1ALDH1A1SMN1; SMN2GAACCR8

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 L3MBTL1 3376/4885CYP3A4 259/4885ALDH1A1 26/4885

“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.