SCHEMBL4004416

SCHEMBL4004416

C(/C=C/c1ccncc1)=C\c1ccncc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JUN P05412 1/20 0.54
NFKB1 P19838 1/20 0.54
MAPT P10636 5/20 0.50
NPC1 O15118 4/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
SNCA P37840 3/20 0.50
CYP1A2 P05177 2/20 0.50
HPGD P15428 2/20 0.50
MEN1 O00255 1/20 0.50
ALOX15 P16050 1/20 0.50
CASP1 P29466 1/20 0.50
HBB P68871 1/20 0.50
KMT2A Q03164 1/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
MAOB P27338 1/20 0.50

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
SCHEMBL4004419 1.00 JUN (0.54) JUNNFKB1MAPTNPC1RAB9A
SCHEMBL4010937 0.97 JUN (0.52) JUNNFKB1MAPTNPC1RAB9A
SCHEMBL4010936 0.97 JUN (0.52) JUNNFKB1MAPTNPC1RAB9A
SCHEMBL15401259 0.97 JUN (0.52) JUNNFKB1MAPTNPC1RAB9A
SCHEMBL9386700 0.89 MAOB (0.70) JUNNFKB1MAPTNPC1RAB9A
SCHEMBL107198 0.87 MAPT (0.61) JUNNFKB1MAPTNPC1RAB9A
SCHEMBL138489 0.87 MAPT (0.61) JUNNFKB1MAPTNPC1RAB9A
SCHEMBL7476497 0.85 JUN (0.48) JUNNFKB1MAPTNPC1RAB9A
SCHEMBL15401296 0.85 JUN (0.43) JUNNFKB1MAPTNPC1RAB9A
SCHEMBL15401295 0.85 JUN (0.43) JUNNFKB1MAPTNPC1RAB9A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2746248-B1 METAL COMPLEX AND ADSORBENT MATERIAL, STORAGE MATERIAL, AND SEPARATING MATERIAL COMPRISING SAME KURARAY CO (JP) 2018-05-30 EP claimed
EP-2325160-B1 METAL COMPLEX AND MANUFACTURING METHOD THEREFOR KURARAY CO (JP) 2013-10-16 EP claimed
US-7524966-B2 Method for preparing ladderanes UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2009-04-28 US claimed
US-20090088572-A1 METHOD FOR PREPARING LADDERANES NATIONAL SCIENCE FOUNDATION 2009-04-02 US claimed
US-20040014963-A1 Substantially spherical supramolecular assemblies ATWOOD JERRY L 2004-01-22 US claimed
EP-0958268-A4 SPHERICAL MOLECULAR ASSEMBLY MACGILLIVRAY LEONARD R (US) 2001-04-04 EP claimed
EP-0958268-A1 SPHERICAL MOLECULAR ASSEMBLY Macgillivray, Leonard R. (US) 1999-11-24 EP claimed
WO-1999016734-A1 SPHERICAL MOLECULAR ASSEMBLY MACGILLIVRAY LEONARD R (US) 1999-04-08 WO claimed
US-7524966-B2 Method for preparing ladderanes UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2009-04-28 US disclosed
US-20090088572-A1 METHOD FOR PREPARING LADDERANES NATIONAL SCIENCE FOUNDATION 2009-04-02 US disclosed
WO-2005035473-A2 METHOD FOR PREPARING LADDERANES FROM PRE-ORIENTED POLYENES UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2005-04-21 WO 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-20040014963-A1 Substantially spherical supramolecular assemblies COG4, SIN3A, SMC4 JUN 1555/4885NFKB1 2525/4885MAPT 1118/4885

“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.