SCHEMBL20051327

SCHEMBL20051327

CC(=O)Nc1c(N)cc(F)cc1F

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.50
HDAC3 O15379 1/20 0.50
HDAC2 Q92769 1/20 0.50
NCOR2 Q9Y618 1/20 0.50
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL30961665 1.00 HDAC1 (0.50) HDAC1HDAC3HDAC2NCOR2NPC1
SCHEMBL2566903 0.86 FUCA1 (0.43) HDAC1HDAC3HDAC2NCOR2SMN1; SMN2
SCHEMBL20051391 0.79 HDAC1 (0.41) HDAC1HDAC3HDAC2NCOR2SMN1; SMN2
SCHEMBL22367067 0.79 ALDH1A1 (0.44) HDAC1HDAC3HDAC2NCOR2NPC1
SCHEMBL2933042 0.78 KDM4E (0.42) HDAC1HDAC3HDAC2NCOR2SMN1; SMN2
SCHEMBL22643164 0.78 HDAC1 (0.40) HDAC1HDAC3HDAC2NCOR2
SCHEMBL6036163 0.78 SMN1; SMN2 (0.41) NPC1SMN1; SMN2ALDH1A1GAAHTT
SCHEMBL6036195 0.78 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1CA1CA2CA9
SCHEMBL6578598 0.77 HDAC1 (0.38) HDAC1HDAC3HDAC2NCOR2SMN1; SMN2
SCHEMBL20051703 0.76 HDAC1 (0.40) HDAC1HDAC3HDAC2NCOR2NPC1

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 9 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
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 3295/4885HDAC3 3300/4885HDAC2 2950/4885
US-20190166847-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD HDAC1 3169/4885HDAC3 3402/4885HDAC2 2995/4885
US-10993440-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes related thereto ACHE, DDT, MLYCD HDAC1 3169/4885HDAC3 3402/4885HDAC2 2995/4885
US-20210161144-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MLYCD HDAC1 3044/4885HDAC3 3070/4885HDAC2 2568/4885
US-10258045-B2 Molecules having pesticidal utility and intermediates, compositions and processes related thereto ACHE, DDT, MLYCD HDAC1 3214/4885HDAC3 3137/4885HDAC2 2845/4885
US-20190150452-A1 MOLECULES HAVEING PESTICIDAL UTILIY AND INTERMEDIATES, COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD HDAC1 3295/4885HDAC3 3300/4885HDAC2 2950/4885

“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.