SCHEMBL22309840

SCHEMBL22309840

CN1CC[C@@H](C(=O)Nc2ccc(F)cc2F)C1=O

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.55
▸ HTT P42858 2/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ POLB P06746 2/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ GAA P10253 1/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46

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
SCHEMBL22337697 0.89 EPHX2 (0.44) TP53HTTSMN1; SMN2KMT2AGAA
SCHEMBL21662059 0.84 KMT2A (0.53) SMN1; SMN2POLBKMT2AL3MBTL1GAA
SCHEMBL30486807 0.84 KMT2A (0.53) SMN1; SMN2POLBKMT2AL3MBTL1GAA
SCHEMBL30486811 0.84 KMT2A (0.53) SMN1; SMN2POLBKMT2AL3MBTL1GAA
SCHEMBL22310185 0.83 ALDH1A1 (0.49) TP53NPC1
SCHEMBL9843605 0.80 TP53 (0.52) TP53HTTSMN1; SMN2POLBKMT2A
SCHEMBL22337785 0.80 ALDH1A1 (0.38) TP53GAANPC1
SCHEMBL22337503 0.80 TP53 (0.51) TP53SMN1; SMN2POLBKMT2AL3MBTL1
SCHEMBL22337322 0.80 TP53 (0.51) TP53SMN1; SMN2POLBKMT2AL3MBTL1
SCHEMBL30486800 0.80 TP53 (0.51) TP53SMN1; SMN2POLBKMT2AL3MBTL1

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
US-20230286952-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2023-09-14 — — US disclosed
WO-2020161147-A1 HERBICIDAL MIXTURES SYNGENTA CROP PROTECTION AG (CH) 2020-08-13 — — WO disclosed
US-20200247778-A1 HERBICIDAL MIXTURES SYNGENTA CROP PROTECTION AG (CH) 2020-08-06 — — US 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 (2 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-20230286952-A1 HERBICIDAL COMPOUNDS DDT, ACHE, CAT TP53 2981/4885HTT 780/4885SMN1; SMN2 1655/4885
US-20200247778-A1 HERBICIDAL MIXTURES DDT, CBR3, AS3MT TP53 4037/4885HTT 577/4885SMN1; SMN2 4125/4885

“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.

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