SCHEMBL7071539

SCHEMBL7071539

N#Cc1cc(C#N)cc(Oc2cccc(Oc3cccc(F)c3)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 2/20 0.49
▸ FFAR4 Q5NUL3 2/20 0.49
▸ SLC6A2 P23975 3/20 0.42
▸ SLC6A4 P31645 3/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ EPAS1 Q99814 7/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ MITF O75030 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NLRP1 Q9C000 1/20 0.41
▸ NOD2 Q9HC29 1/20 0.41
▸ SLC6A3 Q01959 2/20 0.40
▸ HAO1 Q9UJM8 1/20 0.40
▸ VEGFA P15692 1/20 0.40
▸ PDE4A P27815 1/20 0.40

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
SCHEMBL7071576 1.00 FFAR1 (0.49) FFAR1FFAR4SLC6A2SLC6A4HTR1A
SCHEMBL7076965 0.93 FFAR1 (0.52) FFAR1FFAR4EPAS1HAO1VEGFA
SCHEMBL921798 0.91 FFAR1 (0.50) FFAR1FFAR4SLC6A2SLC6A4HTR1A
SCHEMBL7070749 0.89 SMN1; SMN2 (0.50) FFAR1FFAR4SLC6A2SLC6A4EPAS1
SCHEMBL921025 0.86 CYP19A1 (0.51) FFAR1FFAR4MEN1MITFALDH1A1
SCHEMBL7069974 0.85 PDE4A (0.50) FFAR1FFAR4SLC6A2SLC6A4EPAS1
SCHEMBL7072557 0.85 PDE4A (0.50) FFAR1FFAR4SLC6A2SLC6A4EPAS1
SCHEMBL7070717 0.83 MEN1 (0.50) FFAR1FFAR4SLC6A2SLC6A4MEN1
SCHEMBL7074972 0.83 EPAS1 (0.44) FFAR1FFAR4EPAS1VEGFA
SCHEMBL3179032 0.82 SLC6A2 (0.48) SLC6A2SLC6A4HTR1AMEN1MITF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030181334-A1 Herbicidal method BAYER CROPSCIENCE LIMITED (GB) 2003-09-25 — — US disclosed
WO-2003051119-A1 NEW HERBICIDAL COMPOUNDS AND METHOD BAYER CROPSCIENCE LIMITED (GB) 2003-06-26 — — WO 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-20030181334-A1 Herbicidal method DDT, HAAO, CYP4X1 FFAR1 3072/4885FFAR4 3402/4885SLC6A2 2498/4885

“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.

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