SCHEMBL20050806

SCHEMBL20050806

CC(=O)Nc1ccc(NC(=O)c2c(F)ccc(N)c2F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
HDAC1 Q13547 9/20 0.51
HDAC3 O15379 1/20 0.50
HDAC2 Q92769 1/20 0.50
NCOR2 Q9Y618 1/20 0.50
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 2/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA9 Q16790 2/20 0.43
MAPT P10636 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
CA12 O43570 1/20 0.43
BRD4 O60885 1/20 0.43
NR1I2 O75469 1/20 0.43

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
SCHEMBL30739988 0.88 CYP1A2 (0.50) HDAC3MEN1KMT2ACA1CA2
SCHEMBL20050845 0.88 CYP1A2 (0.50) HDAC3MEN1KMT2ACA1CA2
SCHEMBL23340647 0.85 HDAC1 (0.48) SMN1; SMN2HDAC1HDAC3HDAC2NCOR2
SCHEMBL30739610 0.84 GAA (0.62) HDAC1HDAC3HDAC2NCOR2HTT
SCHEMBL20051587 0.84 GAA (0.62) HDAC1HDAC3HDAC2NCOR2HTT
SCHEMBL288303 0.84 KMT2A (0.51) SMN1; SMN2MEN1KMT2APOLBBRD4
SCHEMBL20076647 0.79 SMN1; SMN2 (0.53) SMN1; SMN2HDAC1HDAC3HDAC2NCOR2
SCHEMBL2301708 0.77 GAA (0.43) SMN1; SMN2HDAC1HDAC2HTTMEN1
SCHEMBL23465638 0.75 CYP1A2 (0.48) SMN1; SMN2HDAC1HDAC3HDAC2NCOR2
SCHEMBL19573859 0.75 HDAC1 (0.36) SMN1; SMN2HDAC1HDAC3HDAC2NCOR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3964495-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND COMPOSITIONS, AND PROCESSES, RELATED THERETO Dow AgroSciences LLC (US) 2022-03-09 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 SMN1; SMN2 3531/4885HDAC1 3295/4885HDAC3 3300/4885
US-20190166847-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD SMN1; SMN2 3694/4885HDAC1 3169/4885HDAC3 3402/4885
US-10993440-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes related thereto ACHE, DDT, MLYCD SMN1; SMN2 3694/4885HDAC1 3169/4885HDAC3 3402/4885
US-20210161144-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MLYCD SMN1; SMN2 3645/4885HDAC1 3044/4885HDAC3 3070/4885
US-10258045-B2 Molecules having pesticidal utility and intermediates, compositions and processes related thereto ACHE, DDT, MLYCD SMN1; SMN2 3567/4885HDAC1 3214/4885HDAC3 3137/4885
US-20190150452-A1 MOLECULES HAVEING PESTICIDAL UTILIY AND INTERMEDIATES, COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD SMN1; SMN2 3531/4885HDAC1 3295/4885HDAC3 3300/4885

“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.