SCHEMBL23465367

SCHEMBL23465367

C=C(Nc1ccc(F)c(N)c1F)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 5/20 0.35
KCNQ2 O43526 5/20 0.35
ALDH1A1 P00352 1/20 0.32
KCNQ4 P56696 2/20 0.32
KCNQ5 Q9NR82 2/20 0.32
KMT2A Q03164 1/20 0.31
EPHX2 P34913 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
ADORA2A P29274 1/20 0.30
HDAC1 Q13547 1/20 0.30
NPC1 O15118 1/20 0.30
ALPL P05186 1/20 0.30
ALPI P09923 1/20 0.30
ALPG P10696 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
SCHEMBL20051393 0.79 PDK1 (0.41) KCNQ3KCNQ2ALDH1A1EPHX2CA12
Hydrochloric Acid SCHEMBL29241628 0.78 PDK1 (0.40) KCNQ3KCNQ2ALDH1A1EPHX2CA12
SCHEMBL20077025 0.76 TMPRSS4 (0.35) KMT2ACA12CA1CA2CA9
SCHEMBL23465365 0.76 NPC1 (0.33) ALDH1A1KMT2AEPHX2CA12CA1
SCHEMBL23465741 0.73 HDAC1 (0.32) HDAC1
SCHEMBL15300145 0.73 ALDH1A1 (0.45) KCNQ3KCNQ2ALDH1A1KMT2AEPHX2
SCHEMBL20077005 0.73 PTGS1 (0.50) ALDH1A1KMT2AHDAC1NPC1
SCHEMBL20051716 0.73 CA1 (0.50) ALDH1A1CA1CA2CA9HDAC1
SCHEMBL20076646 0.72 HDAC1 (0.36) HDAC1
SCHEMBL13848099 0.72 ALDH1A1 (0.46) ALDH1A1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210161144-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2021-06-03 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 (1 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-20210161144-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MLYCD KCNQ3 1190/4885KCNQ2 1235/4885ALDH1A1 443/4885

“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.