SCHEMBL20044366

SCHEMBL20044366

CN1C[C@H](c2cccc(C(C)(F)F)c2)[C@@H](C(=O)Nc2ccc(F)cc2F)C1=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTT P42858 2/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
GAA P10253 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
GRIN2B Q13224 1/20 0.37
BRAF P15056 1/20 0.37
KDR P35968 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
SCHEMBL20044869 0.93 NPSR1 (0.43) TP53SMN1; SMN2HTTCYP1A2CYP3A4
SCHEMBL20044372 0.90 ALDH1A1 (0.43) SMN1; SMN2L3MBTL1ALDH1A1MAPT
SCHEMBL20044365 0.88 TP53 (0.37) TP53ALDH1A1MAPTBRAFKDR
SCHEMBL20048559 0.86 TP53 (0.43) TP53SMN1; SMN2HTTATML3MBTL1
SCHEMBL20048481 0.85 P2RX7 (0.42) GRIN2B
SCHEMBL20044812 0.85 GUSB (0.37) CYP1A2CYP3A4GAACYP2D6CYP2C9
SCHEMBL20044868 0.84 CYP1A2 (0.43) TP53SMN1; SMN2HTTCYP1A2CYP3A4
SCHEMBL20048560 0.84 RECQL (0.40) TP53SMN1; SMN2HTTATML3MBTL1
SCHEMBL22345899 0.83 MEN1 (0.42) ALDH1A1MAPTGRIN2B
SCHEMBL18129440 0.83 MEN1 (0.42) ALDH1A1MAPTGRIN2B

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 1193/4885SMN1; SMN2 4288/4885HTT 1788/4885
US-20180099935-A1 SUBSTITUTED CYCLIC AMIDES AND THEIR USE AS HERBICIDES NIT2, ARG1, CNPY2 TP53 1193/4885SMN1; SMN2 4288/4885HTT 1788/4885
US-10654804-B2 Substituted cyclic amides and their use as herbicides NIT2, ARG1, CNPY2 TP53 1193/4885SMN1; SMN2 4288/4885HTT 1788/4885
US-20240025853-A1 SUBSTITUTED CYCLIC AMIDES AND THEIR USE AS HERBICIDES NIT2, ARG1, CNPY2 TP53 1230/4885SMN1; SMN2 4295/4885HTT 1782/4885
US-20220127229-A1 SUBSTITUTED CYCLIC AMIDES AND THEIR USE AS HERBICIDES NIT2, ARG1, CNPY2 TP53 1193/4885SMN1; SMN2 4288/4885HTT 1788/4885
US-20200347017-A1 SUBSTITUTED CYCLIC AMIDES AND THEIR USE AS HERBICIDES NIT2, ARG1, CNPY2 TP53 1193/4885SMN1; SMN2 4288/4885HTT 1788/4885
US-11180453-B2 Substituted cyclic amides and their use as herbicides NIT2, ARG1, CNPY2 TP53 1193/4885SMN1; SMN2 4288/4885HTT 1788/4885

“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.