SCHEMBL7076982

SCHEMBL7076982

N#Cc1cc(C#N)cc(Oc2cccc(Oc3cc(C(F)(F)F)ccc3C#N)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.46
CYP19A1 P11511 1/20 0.45
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
EPAS1 Q99814 3/20 0.43
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
PGGT1B P53609 1/20 0.42
CYP2D6 P10635 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
NOS2 P35228 1/20 0.41
SCN9A Q15858 1/20 0.41

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
SCHEMBL7077333 0.84 POLB (0.50) ARMAPTNPSR1L3MBTL1EPAS1
SCHEMBL7072035 0.84 POLB (0.50) ARMAPTNPSR1L3MBTL1EPAS1
SCHEMBL7071618 0.82 POLB (0.44) ARMAPTNPSR1L3MBTL1EPAS1
SCHEMBL7074501 0.80 CYP19A1 (0.48) ARCYP19A1EPAS1FNTAFNTB
SCHEMBL7077280 0.80 AR (0.71) AR
SCHEMBL7075721 0.80 AR (0.49) ARCYP19A1EPAS1FNTAFNTB
SCHEMBL7074667 0.77 AR (0.50) ARCYP19A1EPAS1FNTAFNTB
SCHEMBL921315 0.77 POLB (0.51) ARMAPTNPSR1L3MBTL1EPAS1
SCHEMBL7074662 0.77 AR (0.56) ARSCN9A
SCHEMBL9746494 0.76 AR (0.55) ARCYP19A1NPSR1SCN9A

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 4356/4885CYP19A1 302/4885MAPT 4008/4885

“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.