SCHEMBL9547658

SCHEMBL9547658

OC1CCCc2c1nc1ccccc1c2Cl

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.74
CYP1A2 P05177 2/20 0.48
TSHR P16473 2/20 0.48
ALDH1A1 P00352 2/20 0.48
KCNH2 Q12809 2/20 0.48
CYP2C9 P11712 1/20 0.48
NR3C1 P04150 1/20 0.48
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
BRD3 Q15059 1/20 0.42
BCHE P06276 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CACNB4 O00305 1/20 0.41
CACNA1A O00555 1/20 0.41
SLC22A2 O15244 1/20 0.41
SLC22A1 O15245 1/20 0.41
ABCC4 O15439 1/20 0.41
CACNA1G O43497 1/20 0.41
CACNG3 O60359 1/20 0.41
CACNA1F O60840 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
SCHEMBL10286450 0.85 ACHE (0.70) ACHECYP1A2TSHRALDH1A1KCNH2
SCHEMBL9547692 0.85 ACHE (1.00) ACHECYP1A2TSHRALDH1A1KCNH2
SCHEMBL10287318 0.85 ACHE (0.74) ACHECYP1A2TSHRALDH1A1KCNH2
SCHEMBL10286449 0.82 ACHE (0.70) ACHECYP1A2TSHRALDH1A1KCNH2
SCHEMBL527961 0.82 ACHE (0.70) ACHECYP1A2TSHRALDH1A1KCNH2
SCHEMBL10286858 0.82 ACHE (0.70) ACHECYP1A2TSHRALDH1A1KCNH2
SCHEMBL10286867 0.81 ACHE (0.68) ACHECYP1A2TSHRALDH1A1KCNH2
SCHEMBL10286841 0.81 ACHE (0.68) ACHECYP1A2TSHRALDH1A1KCNH2
SCHEMBL10286838 0.81 ACHE (0.68) ACHECYP1A2TSHRALDH1A1KCNH2
SCHEMBL10286817 0.80 ACHE (0.67) ACHECYP1A2TSHRALDH1A1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130102631-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2013-04-25 US disclosed
WO-2012001040-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-05 WO disclosed
EP-0369388-B1 HYDROXY-1,2,3,4-TETRAHYDROAMINOACRIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-05-19 EP disclosed
EP-0369388-A1 Hydroxy-1,2,3,4-tetrahydroaminoacridines, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1990-05-23 EP 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-20130102631-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES MSR1, DDT, MPO ACHE 660/4885CYP1A2 69/4885TSHR 4294/4885

“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.