SCHEMBL20051703

SCHEMBL20051703

CC(=O)Nc1c(F)cc(F)c(N)c1F

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.40
HDAC6 Q9UBN7 2/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC2 Q92769 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
POLB P06746 1/20 0.37
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
BACE1 P56817 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPC1 O15118 1/20 0.34
BRD4 O60885 1/20 0.34

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
SCHEMBL23465271 0.81 HDAC1 (0.32) HDAC1HDAC6
SCHEMBL22367067 0.80 ALDH1A1 (0.44) HDAC1HDAC6CA1CA2CA9
SCHEMBL445173 0.79 LMNA (0.46) HDAC1HDAC6CA1CA2CA9
Water SCHEMBL5500703 0.78 LMNA (0.45) HDAC1HDAC6CA1CA2CA9
SCHEMBL13175536 0.76 HDAC1 (0.48) HDAC1HDAC6CA1CA2CA9
SCHEMBL30961665 0.76 HDAC1 (0.50) HDAC1HDAC6CA1CA2CA9
SCHEMBL20051327 0.76 HDAC1 (0.50) HDAC1HDAC6CA1CA2CA9
SCHEMBL2566903 0.75 FUCA1 (0.43) HDAC1HDAC6CA1CA2CA9
SCHEMBL5814455 0.73 CA1 (0.38) HDAC1HDAC6CA1CA2CA9
SCHEMBL14003578 0.73 CA1 (0.40) HDAC1CA1CA2CA9ALDH1A1

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
CN-118044519-A Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2024-05-17 CN disclosed
CN-110072842-B Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2024-02-02 CN disclosed
EP-3971166-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND COMPOSITIONS, AND PROCESSES, RELATED THERETO Corteva Agriscience LLC (US) 2022-03-23 EP disclosed
US-20210161144-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2021-06-03 US disclosed
US-10993440-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes related thereto DOW AGROSCIENCES LLC (US) 2021-05-04 US disclosed
CN-110072842-A Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 美国陶氏益农公司 2019-07-30 CN disclosed
US-20190166847-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-06-06 US disclosed
US-20190150452-A1 MOLECULES HAVEING PESTICIDAL UTILIY AND INTERMEDIATES, COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-05-23 US disclosed
US-10258045-B2 Molecules having pesticidal utility and intermediates, compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2019-04-16 US disclosed
US-20180098541-A1 MOLECULES HAVEING PESTICIDAL UTILIY AND INTERMEDIATES, COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 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 (6 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-20180098541-A1 MOLECULES HAVEING PESTICIDAL UTILIY AND INTERMEDIATES, COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD HDAC1 3295/4885HDAC6 873/4885CA1 2324/4885
US-20190166847-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD HDAC1 3169/4885HDAC6 617/4885CA1 2572/4885
US-10993440-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes related thereto ACHE, DDT, MLYCD HDAC1 3169/4885HDAC6 617/4885CA1 2572/4885
US-20210161144-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MLYCD HDAC1 3044/4885HDAC6 489/4885CA1 2639/4885
US-10258045-B2 Molecules having pesticidal utility and intermediates, compositions and processes related thereto ACHE, DDT, MLYCD HDAC1 3214/4885HDAC6 464/4885CA1 2216/4885
US-20190150452-A1 MOLECULES HAVEING PESTICIDAL UTILIY AND INTERMEDIATES, COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD HDAC1 3295/4885HDAC6 873/4885CA1 2324/4885

“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.