SCHEMBL3094652

SCHEMBL3094652

O=C(O)c1nn(-c2ccc(Cl)cc2Cl)c(C2=CC=C(Br)[SeH2]2)c1Br

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.46
LMNA P02545 1/20 0.44
CNR1 P21554 5/20 0.43
RPA1 P27694 1/20 0.43
ALDH1A1 P00352 1/20 0.42
PPARA Q07869 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
SCHEMBL3084273 0.89 CNR2 (0.54) CNR2CNR1PPARA
SCHEMBL3096389 0.84 KDM4E (0.52) CNR2CNR1PPARA
SCHEMBL923743 0.82 CNR2 (0.62) CNR2CNR1RPA1PPARA
SCHEMBL3096108 0.82 CNR2 (0.60) CNR2CNR1
SCHEMBL3103578 0.82 CNR1 (0.62) CNR2CNR1
SCHEMBL3098054 0.81 CNR2 (0.61) CNR2CNR1
SCHEMBL3096122 0.81 CNR2 (0.43) CNR2CNR1
SCHEMBL3098223 0.81 CNR1 (0.44) CNR2CNR1
SCHEMBL3099903 0.81 CNR2 (0.61) CNR2CNR1
SCHEMBL3093507 0.81 CNR1 (0.46) CNR2CNR1

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
US-7803799-B2 such as 1-(2,4-dichlorophenyl)-N-(piperidin-1-yl)-5-(selenophen-2-yl)-1H-pyrazole-3-carboxamide, used for treating cannabinoid-receptor mediated disorders selected from obesity, metabolic syndrome, drug abuse and dependence or neuropathic pain NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2010-09-28 US disclosed
EP-2084135-A2 PYRAZOLE COMPOUNDS National Health Research Institutes (TW) 2009-08-05 EP disclosed
US-20090042864-A2 PYRAZOLE COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2009-02-12 US disclosed
WO-2008060771-A2 PYRAZOLE COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-05-22 WO disclosed
US-20080090809-A1 PYRAZOLE COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-04-17 US disclosed
US-20080021031-A1 SELENOPHENE COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTE (TW) 2008-01-24 US 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 (3 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-20090042864-A2 PYRAZOLE COMPOUNDS CNR2, CNR1, GPR18 CNR2 1/4885LMNA 4767/4885CNR1 2/4885
US-20080021031-A1 SELENOPHENE COMPOUNDS CNR2, CNR1, SELENOI CNR2 1/4885LMNA 4847/4885CNR1 2/4885
US-20080090809-A1 PYRAZOLE COMPOUNDS CNR2, CNR1, GPR18 CNR2 1/4885LMNA 4767/4885CNR1 2/4885

“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.