SCHEMBL7074385

SCHEMBL7074385

N#Cc1cc(C#N)cc(Oc2cccc(Oc3ccc(Cl)c(Cl)c3)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.54
HSP90AA1 P07900 1/20 0.50
HTR2A P28223 3/20 0.48
KCNH2 Q12809 3/20 0.48
SLC6A4 P31645 2/20 0.48
HRH1 P35367 3/20 0.44
CCR3 P51677 3/20 0.44
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MITF O75030 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
GFER P55789 1/20 0.43
NLRP1 Q9C000 1/20 0.43
NOD2 Q9HC29 1/20 0.43
AR P10275 2/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 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
SCHEMBL7074894 0.95 HSP90AA1 (0.55) KMOHSP90AA1HTR2AKCNH2SLC6A4
SCHEMBL7073821 0.87 AR (0.55) KMOMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL7070749 0.86 SMN1; SMN2 (0.50) KCNH2SLC6A4MEN1ALDH1A1KMT2A
SCHEMBL7070119 0.85 AR (0.49) MEN1ALDH1A1KMT2ASMN1; SMN2MITF
SCHEMBL7074948 0.83 AR (0.54) HTR2AKCNH2SLC6A4MEN1ALDH1A1
SCHEMBL7074601 0.83 AR (0.54) HTR2AKCNH2SLC6A4MEN1ALDH1A1
SCHEMBL7073983 0.82 CYP19A1 (0.54) MEN1ALDH1A1KMT2ASMN1; SMN2MITF
SCHEMBL14833394 0.82 HTR2A (0.56) KMOHSP90AA1HTR2AKCNH2SLC6A4
SCHEMBL7072557 0.82 PDE4A (0.50) SLC6A4MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL7069974 0.82 PDE4A (0.50) SLC6A4MEN1ALDH1A1KMT2ASMN1; SMN2

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 KMO 96/4885HSP90AA1 1067/4885HTR2A 3068/4885

“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.