SCHEMBL3100355

SCHEMBL3100355

CCOC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(C2=CC=C[SeH2]2)c1C

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
MEN1 O00255 1/20 0.56
MAPT P10636 1/20 0.56
MAPK1 P28482 1/20 0.56
KMT2A Q03164 1/20 0.56
CNR1 P21554 3/20 0.52
CNR2 P34972 10/20 0.50
SLC5A1 P13866 1/20 0.47
SLC5A2 P31639 1/20 0.47

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
SCHEMBL3095085 0.87 CNR2 (0.52) CNR1CNR2
SCHEMBL3083041 0.84 KDM4E (0.56) KDM4EMEN1MAPTMAPK1KMT2A
SCHEMBL29838956 0.82 CNR2 (0.71) CNR1CNR2
SCHEMBL923180 0.82 CNR2 (0.71) CNR1CNR2
SCHEMBL12907707 0.81 CNR1 (0.66) KDM4EMEN1MAPTMAPK1KMT2A
SCHEMBL24225739 0.80 KDM4E (0.68) KDM4EMEN1MAPTMAPK1KMT2A
SCHEMBL13955262 0.80 KDM4E (0.68) KDM4EMEN1MAPTMAPK1KMT2A
SCHEMBL662250 0.80 CNR1 (0.65) KDM4EMEN1MAPTMAPK1KMT2A
SCHEMBL4612450 0.80 CNR1 (0.67) KDM4EMEN1MAPTMAPK1KMT2A
SCHEMBL2627954 0.79 CNR1 (0.68) CNR1CNR2

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-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-7705024-B2 Oxadiazole compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2010-04-27 US disclosed
US-20080255211-A1 Oxadiazole Compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-10-16 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 (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-20080021031-A1 SELENOPHENE COMPOUNDS CNR2, CNR1, SELENOI KDM4E 1250/4885MEN1 1271/4885MAPT 595/4885
US-20080255211-A1 Oxadiazole Compounds CNR1, CNR2, OPRD1 KDM4E 2511/4885MEN1 3156/4885MAPT 2111/4885

“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.