SCHEMBL20044084

SCHEMBL20044084

CCOc1cc([C@H]2CN(C)C(=O)[C@@H]2C(=O)Nc2cccc(F)c2F)cc(C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.37
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TP53 P04637 1/20 0.35
ALDH1A1 P00352 3/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
ALOX12 P18054 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
TACR1 P25103 1/20 0.33
KCNH2 Q12809 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
P2RY1 P47900 1/20 0.33
P2RX7 Q99572 1/20 0.33
UBE2M P61081 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
SCHEMBL20044733 1.00 SMN1; SMN2 (0.37) SMN1; SMN2ATML3MBTL1TP53ALDH1A1
SCHEMBL20044762 0.94 TP53 (0.36) SMN1; SMN2L3MBTL1TP53ALDH1A1NPSR1
SCHEMBL20043960 0.91 ALDH1A1 (0.36) SMN1; SMN2TP53ALDH1A1KMT2ANPSR1
SCHEMBL20044738 0.90 ATM (0.39) SMN1; SMN2ATML3MBTL1TP53ALDH1A1
SCHEMBL20044729 0.89 KAT6A (0.40) SMN1; SMN2ATML3MBTL1TP53ALDH1A1
SCHEMBL20044078 0.88 TACR1 (0.36) TP53ALDH1A1KMT2AMEN1ALOX12
SCHEMBL20044064 0.88 SMN1; SMN2 (0.44) SMN1; SMN2ATML3MBTL1TP53ALDH1A1
SCHEMBL20044301 0.87 TP53 (0.36) TP53ALDH1A1KMT2AMEN1TACR1
SCHEMBL20044760 0.86 TP53 (0.36) TP53ALDH1A1KMT2AMEN1TACR1
SCHEMBL20044008 0.86 ATM (0.41) SMN1; SMN2ATML3MBTL1TP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025853-A1 SUBSTITUTED CYCLIC AMIDES AND THEIR USE AS HERBICIDES FMC CORPORATION 2024-01-25 US disclosed
US-20240025853-A1 SUBSTITUTED CYCLIC AMIDES AND THEIR USE AS HERBICIDES FMC CORPORATION 2024-01-25 US disclosed
US-11787765-B2 Substituted cyclic amides and their use as herbicides FMC CORPORATION (US) 2023-10-17 US disclosed
US-11787765-B2 Substituted cyclic amides and their use as herbicides FMC CORPORATION (US) 2023-10-17 US disclosed
US-20220127229-A1 SUBSTITUTED CYCLIC AMIDES AND THEIR USE AS HERBICIDES FMC CORPORATION 2022-04-28 US disclosed
US-11180453-B2 Substituted cyclic amides and their use as herbicides FMC CORPORATION (US) 2021-11-23 US disclosed
US-20200347017-A1 SUBSTITUTED CYCLIC AMIDES AND THEIR USE AS HERBICIDES FMC CORPORATION 2020-11-05 US disclosed
US-10654804-B2 Substituted cyclic amides and their use as herbicides FMC CORPORATION (US) 2020-05-19 US disclosed
US-20180099935-A1 SUBSTITUTED CYCLIC AMIDES AND THEIR USE AS HERBICIDES FMC CORPORATION 2018-04-12 US disclosed
US-20180099935-A1 SUBSTITUTED CYCLIC AMIDES AND THEIR USE AS HERBICIDES FMC CORPORATION 2018-04-12 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 (7 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-11787765-B2 Substituted cyclic amides and their use as herbicides NIT2, ARG1, CNPY2 SMN1; SMN2 4288/4885ATM 1879/4885L3MBTL1 2969/4885
US-20180099935-A1 SUBSTITUTED CYCLIC AMIDES AND THEIR USE AS HERBICIDES NIT2, ARG1, CNPY2 SMN1; SMN2 4288/4885ATM 1879/4885L3MBTL1 2969/4885
US-10654804-B2 Substituted cyclic amides and their use as herbicides NIT2, ARG1, CNPY2 SMN1; SMN2 4288/4885ATM 1879/4885L3MBTL1 2969/4885
US-20240025853-A1 SUBSTITUTED CYCLIC AMIDES AND THEIR USE AS HERBICIDES NIT2, ARG1, CNPY2 SMN1; SMN2 4295/4885ATM 1875/4885L3MBTL1 3033/4885
US-20220127229-A1 SUBSTITUTED CYCLIC AMIDES AND THEIR USE AS HERBICIDES NIT2, ARG1, CNPY2 SMN1; SMN2 4288/4885ATM 1879/4885L3MBTL1 2969/4885
US-20200347017-A1 SUBSTITUTED CYCLIC AMIDES AND THEIR USE AS HERBICIDES NIT2, ARG1, CNPY2 SMN1; SMN2 4288/4885ATM 1879/4885L3MBTL1 2969/4885
US-11180453-B2 Substituted cyclic amides and their use as herbicides NIT2, ARG1, CNPY2 SMN1; SMN2 4288/4885ATM 1879/4885L3MBTL1 2969/4885

“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.