SCHEMBL7074948

SCHEMBL7074948

N#Cc1cc(C#N)cc(Oc2cccc(Cl)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.54
CYP19A1 P11511 1/20 0.51
SLC6A4 P31645 3/20 0.42
KCNH2 Q12809 2/20 0.42
HTR2A P28223 1/20 0.42
GRM5 P41594 2/20 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
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
NR3C1 P04150 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
SCHEMBL7074601 1.00 AR (0.54) ARCYP19A1SLC6A4KCNH2HTR2A
SCHEMBL921055 0.91 CYP19A1 (0.56) ARCYP19A1SLC6A4KCNH2HTR2A
SCHEMBL7070749 0.89 SMN1; SMN2 (0.50) ARCYP19A1SLC6A4KCNH2MEN1
SCHEMBL7070119 0.88 AR (0.49) ARCYP19A1MEN1MITFALDH1A1
SCHEMBL7072557 0.85 PDE4A (0.50) ARCYP19A1SLC6A4MEN1MITF
SCHEMBL7069974 0.85 PDE4A (0.50) ARCYP19A1SLC6A4MEN1MITF
SCHEMBL7070717 0.83 MEN1 (0.50) CYP19A1SLC6A4MEN1MITFALDH1A1
SCHEMBL7075721 0.83 AR (0.49) ARCYP19A1SLC6A4KCNH2HTR2A
SCHEMBL7074385 0.83 KMO (0.54) ARCYP19A1SLC6A4KCNH2HTR2A
SCHEMBL16890555 0.82 RHEB (0.50) ARSLC6A4KCNH2HTR2AMEN1

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 302/4885SLC6A4 2549/4885

“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.