SCHEMBL3098076

SCHEMBL3098076

CCCC=Cc1cc[se]c1-c1c(Br)c(C(=O)OCC)nn1-c1ccc(Cl)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.45
CNR1 P21554 3/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
SLC5A1 P13866 1/20 0.41
SLC5A2 P31639 1/20 0.41
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL3098067 0.81 KDM4E (0.44) CNR2CNR1KDM4EMEN1MAPT
SCHEMBL923181 0.77 CNR1 (0.61) CNR2CNR1KDM4EMEN1MAPT
SCHEMBL3735383 0.77 CNR2 (0.50) CNR2CNR1KDM4EMEN1MAPT
SCHEMBL3096383 0.76 KDM4E (0.52) CNR2CNR1KDM4EMEN1MAPT
SCHEMBL3096389 0.73 KDM4E (0.52) CNR2CNR1KDM4EMEN1MAPT
SCHEMBL3083040 0.72 KDM4E (0.56) CNR2CNR1KDM4EMEN1MAPT
SCHEMBL3098061 0.71 KDM4E (0.58) CNR2CNR1KDM4EMEN1MAPT
SCHEMBL3813912 0.71 CNR1 (0.49) CNR2CNR1KDM4EMEN1MAPT
SCHEMBL2627954 0.70 CNR1 (0.68) CNR2CNR1GABRA2GABRB2
SCHEMBL30961554 0.70 CNR1 (0.68) CNR2CNR1GABRA2GABRB2

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-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
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 (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-20080021031-A1 SELENOPHENE COMPOUNDS CNR2, CNR1, SELENOI CNR2 1/4885CNR1 2/4885KDM4E 1250/4885

“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.