SCHEMBL7074667

SCHEMBL7074667

N#Cc1cc(C#N)cc(Oc2cccc(Oc3ccc(C#N)cc3C#N)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.50
LRRK2 Q5S007 1/20 0.46
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
EPAS1 Q99814 7/20 0.45
SLC22A12 Q96S37 1/20 0.45
CYP19A1 P11511 3/20 0.44
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
PGGT1B P53609 1/20 0.44
VEGFA P15692 2/20 0.41
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 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
SCHEMBL7069917 0.85 CYP19A1 (0.58) ARALDH1A1SMN1; SMN2EPAS1CYP19A1
SCHEMBL7069974 0.83 PDE4A (0.50) ARALDH1A1SMN1; SMN2EPAS1CYP19A1
SCHEMBL7072557 0.83 PDE4A (0.50) ARALDH1A1SMN1; SMN2EPAS1CYP19A1
SCHEMBL7070749 0.83 SMN1; SMN2 (0.50) ARALDH1A1SMN1; SMN2EPAS1CYP19A1
SCHEMBL7075721 0.81 AR (0.49) ARALDH1A1SMN1; SMN2EPAS1CYP19A1
SCHEMBL7074501 0.81 CYP19A1 (0.48) ARALDH1A1SMN1; SMN2EPAS1CYP19A1
SCHEMBL23795068 0.80 CYP19A1 (0.59) ARALDH1A1SMN1; SMN2EPAS1SLC22A12
SCHEMBL7073983 0.80 CYP19A1 (0.54) ARALDH1A1SMN1; SMN2CYP19A1FFAR1
SCHEMBL27839327 0.79 PDE4A (0.53) ARALDH1A1SMN1; SMN2EPAS1CYP19A1
SCHEMBL7073821 0.78 AR (0.55) ARALDH1A1SMN1; SMN2SLC22A12CYP19A1

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 AR 4356/4885LRRK2 3905/4885ALDH1A1 184/4885

“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.