SCHEMBL3087937

SCHEMBL3087937

O=C(NCCC1=CCCCC1)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Br)[se]2)c1Br

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
CNR2 P34972 6/20 0.46
CNR1 P21554 7/20 0.46
LMNA P02545 2/20 0.45
XBP1 P17861 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL3087940 0.85 NPC1 (0.46) NPC1RAB9AALDH1A1NFKB1NFKB2
SCHEMBL3087785 0.80 CNR2 (0.65) CNR2CNR1
SCHEMBL3087939 0.80 CNR1 (0.45) CNR2CNR1
SCHEMBL3096097 0.79 CNR2 (0.61) CNR2CNR1
SCHEMBL3099899 0.78 CNR2 (0.62) CNR2CNR1
SCHEMBL3098045 0.78 CNR2 (0.62) CNR2CNR1
SCHEMBL3103573 0.77 CNR1 (0.65) CNR2CNR1
SCHEMBL3094639 0.76 CNR2 (0.47) ALDH1A1CNR2CNR1LMNA
SCHEMBL3098216 0.75 CNR1 (0.45) CNR2CNR1
SCHEMBL3098108 0.75 CNR1 (0.64) 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 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 NPC1 714/4885RAB9A 2755/4885ALDH1A1 918/4885

“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.