SCHEMBL3092996

SCHEMBL3092996

S=C(NCc1nn(-c2ccc(Cl)cc2Cl)c(C2=CC=C(Br)[SeH2]2)c1Br)NC1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 3/20 0.49
MAPT P10636 3/20 0.49
LMNA P02545 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 1/20 0.49
ALPL P05186 1/20 0.49
ALPI P09923 1/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
OPRL1 P41146 4/20 0.46
CNR1 P21554 4/20 0.45
KCNH2 Q12809 2/20 0.45
CNR2 P34972 4/20 0.43
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL3096377 0.90 CNR1 (0.49) OPRL1CNR1KCNH2CNR2
SCHEMBL3089142 0.85 CNR1 (0.49) OPRL1CNR1KCNH2
SCHEMBL3087636 0.84 CNR1 (0.47) OPRL1CNR1KCNH2
SCHEMBL3092984 0.83 ALOX12 (0.49) ALOX12MAPTLMNAMEN1KMT2A
SCHEMBL3098054 0.80 CNR2 (0.61) CNR1CNR2
SCHEMBL3099903 0.80 CNR2 (0.61) CNR1CNR2
SCHEMBL3096108 0.79 CNR2 (0.60) CNR1CNR2
SCHEMBL3103717 0.77 OPRL1 (0.39) OPRL1CNR1KCNH2CNR2
SCHEMBL3096430 0.76 CNR2 (0.47) CNR1CNR2
SCHEMBL3103726 0.75 CNR1 (0.73) 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 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 ALOX12 599/4885MAPT 595/4885LMNA 4847/4885

“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.