SCHEMBL20044896

SCHEMBL20044896

CC(C)Oc1cc([C@@H]2CN(C)C(=O)[C@H]2C(=O)Nc2cccc(F)c2F)cc(Cl)n1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.35
CHRM3 P20309 3/20 0.33
P2RX3 P56373 4/20 0.32
S1PR2 O95136 2/20 0.32
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
DHODH Q02127 2/20 0.31
UBE2M P61081 1/20 0.31
DCUN1D1 Q96GG9 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
P2RX7 Q99572 1/20 0.30
TYK2 P29597 1/20 0.30
AKT1 P31749 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
F10 P00742 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL20044538 0.90 TP53 (0.40) TP53CHRM3MEN1MAPTKMT2A
SCHEMBL20044811 0.90 TP53 (0.40) TP53CHRM3MEN1MAPTKMT2A
SCHEMBL20044523 0.86 TP53 (0.38) TP53CHRM3MEN1MAPTKMT2A
SCHEMBL22817599 0.84 TP53 (0.35) TP53CHRM3MEN1MAPTKMT2A
SCHEMBL20044529 0.84 TP53 (0.36) TP53CHRM3MEN1MAPTKMT2A
SCHEMBL22621490 0.83 NPC1 (0.36) TP53CHRM3DHODHUBE2MDCUN1D1
SCHEMBL20044761 0.83 TP53 (0.35) TP53CHRM3DHODHUBE2MDCUN1D1
SCHEMBL20044061 0.82 TP53 (0.37) TP53CHRM3UBE2MDCUN1D1MEN1
SCHEMBL20044343 0.82 TP53 (0.39) TP53CHRM3MEN1MAPTKMT2A
SCHEMBL20044740 0.82 TP53 (0.39) TP53CHRM3MEN1MAPTKMT2A

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 TP53 1193/4885CHRM3 95/4885P2RX3 572/4885
US-20180099935-A1 SUBSTITUTED CYCLIC AMIDES AND THEIR USE AS HERBICIDES NIT2, ARG1, CNPY2 TP53 1193/4885CHRM3 95/4885P2RX3 572/4885
US-10654804-B2 Substituted cyclic amides and their use as herbicides NIT2, ARG1, CNPY2 TP53 1193/4885CHRM3 95/4885P2RX3 572/4885
US-20240025853-A1 SUBSTITUTED CYCLIC AMIDES AND THEIR USE AS HERBICIDES NIT2, ARG1, CNPY2 TP53 1230/4885CHRM3 98/4885P2RX3 578/4885
US-20220127229-A1 SUBSTITUTED CYCLIC AMIDES AND THEIR USE AS HERBICIDES NIT2, ARG1, CNPY2 TP53 1193/4885CHRM3 95/4885P2RX3 572/4885
US-20200347017-A1 SUBSTITUTED CYCLIC AMIDES AND THEIR USE AS HERBICIDES NIT2, ARG1, CNPY2 TP53 1193/4885CHRM3 95/4885P2RX3 572/4885
US-11180453-B2 Substituted cyclic amides and their use as herbicides NIT2, ARG1, CNPY2 TP53 1193/4885CHRM3 95/4885P2RX3 572/4885

“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.