SCHEMBL9547692

SCHEMBL9547692

Nc1c2c(nc3ccccc13)C(O)CCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 10/20 1.00
TSHR P16473 4/20 0.62
ALDH1A1 P00352 3/20 0.62
CYP1A2 P05177 3/20 0.62
KCNH2 Q12809 2/20 0.62
CYP2C9 P11712 1/20 0.62
NR3C1 P04150 1/20 0.62
BCHE P06276 6/20 0.55
HSD17B10 Q99714 3/20 0.55
CYP2D6 P10635 2/20 0.55
KDM4E B2RXH2 1/20 0.55
CACNB4 O00305 1/20 0.55
CACNA1A O00555 1/20 0.55
SLC22A2 O15244 1/20 0.55
SLC22A1 O15245 1/20 0.55
ABCC4 O15439 1/20 0.55
CACNA1G O43497 1/20 0.55
CACNG3 O60359 1/20 0.55
CACNA1F O60840 1/20 0.55
CACNA1H O95180 1/20 0.55

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
SCHEMBL9547658 0.85 ACHE (0.74) ACHETSHRALDH1A1CYP1A2KCNH2
SCHEMBL10287318 0.85 ACHE (0.74) ACHETSHRALDH1A1CYP1A2KCNH2
SCHEMBL527961 0.82 ACHE (0.70) ACHETSHRALDH1A1CYP1A2KCNH2
SCHEMBL10286449 0.82 ACHE (0.70) ACHETSHRALDH1A1CYP1A2KCNH2
SCHEMBL10286450 0.82 ACHE (0.70) ACHETSHRALDH1A1CYP1A2KCNH2
SCHEMBL10286858 0.82 ACHE (0.70) ACHETSHRALDH1A1CYP1A2KCNH2
SCHEMBL10286361 0.82 ACHE (0.69) ACHEBCHECHRM1GRIN1GRIN2A
SCHEMBL10286841 0.81 ACHE (0.68) ACHETSHRALDH1A1CYP1A2KCNH2
SCHEMBL10286867 0.81 ACHE (0.68) ACHETSHRALDH1A1CYP1A2KCNH2
SCHEMBL10286838 0.81 ACHE (0.68) ACHETSHRALDH1A1CYP1A2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260083724-A1 COMPOUNDS TARGETING PAX3::FOXO1 FUSION PROTEIN GEORGETOWN UNIVERSITY (US) 2026-03-26 US disclosed
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
US-5202440-A Certain 9-amino-2-(or 4)-oxa 1,2,3,4-tetrahydro- or 1,2,3,4,5,6,7,8-octahydro-acridines PFIZER INC. (US) 1993-04-13 US 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
CN-1032440-A The 4-aminopyridine derivatives class PFIZER (US) 1989-04-19 CN disclosed
EP-0311303-A2 4-aminopyridine derivatives PFIZER INC. (US) 1989-04-12 EP disclosed
WO-1989002740-A1 4-AMINOPYRIDINE DERIVATIVES PFIZER INC. (US) 1989-04-06 WO disclosed
WO-1989002739-A1 4-AMINOPYRIDINE DERIVATIVES PFIZER INC. (US) 1989-04-06 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 (2 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-20260083724-A1 COMPOUNDS TARGETING PAX3::FOXO1 FUSION PROTEIN PAX3, FOXO1, PAXBP1 ACHE 3462/4885TSHR 2791/4885ALDH1A1 2739/4885
US-20130102631-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES MSR1, DDT, MPO ACHE 660/4885TSHR 4294/4885ALDH1A1 1110/4885

“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.