SCHEMBL4592210

SCHEMBL4592210

OCCCc1ccc(Cl)nn1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
NOTUM Q6P988 2/20 0.35
TLR8 Q9NR97 7/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
SLC5A2 P31639 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
GLS O94925 1/20 0.32

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
SCHEMBL9215468 0.79 ALDH1A1 (0.46) ALDH1A1GAAMAPTSLC5A2
SCHEMBL1126767 0.78
SCHEMBL941277 0.78 KCNH2 (0.47) ALDH1A1SLC5A2
SCHEMBL9850641 0.76 KCNH2 (0.50) ALDH1A1SLC5A2
SCHEMBL8551658 0.76 KCNH2 (0.50) ALDH1A1SLC5A2
SCHEMBL8824430 0.75 NOTUM (0.33) NOTUMCYP11B1CYP11B2GLS
SCHEMBL3182612 0.74 ALDH1A1 (0.48) ALDH1A1GAAMAPTSLC5A2
SCHEMBL7484919 0.74 ALDH1A1 (0.48) ALDH1A1GAAMAPT
SCHEMBL27621011 0.74 ALDH1A1 (0.48) ALDH1A1GAAMAPT
SCHEMBL27852072 0.73 ALDH1A1 (0.44) ALDH1A1GAAMAPTGLS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2844660-B1 TRIAZOLOPYRIDAZINE COMPOUNDS, USE AS INHIBITORS OF THE KINASE LRRK2, AND METHODS FOR PREPARATION THEREOF SOUTHERN RES INST (US) 2017-11-01 EP disclosed
EP-2844660-A1 TRIAZOLOPYRIDAZINE COMPOUNDS, USE AS INHIBITORS OF THE KINASE LRRK2, AND METHODS FOR PREPARATION THEREOF Southern Research Institute (US) 2015-03-11 EP disclosed
WO-2013166276-A1 TRIAZOLOPYRIDAZINE COMPOUNDS, USE AS INHIBITORS OF THE KINASE LRRK2, AND METHODS FOR PREPARATION THEREOF SOUTHERN RESEARCH INSTITUTE (US) 2013-11-07 WO disclosed
EP-1943231-A1 (HETERO)ARYL COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-16 EP disclosed
US-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds ROTH GERALD J 2007-05-17 US disclosed
WO-2007048802-A1 (HETERO)ARYL COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-03 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-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 ALDH1A1 3960/4885NOTUM 4028/4885TLR8 3717/4885

“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.