SCHEMBL15401296

SCHEMBL15401296

[CH]=CC=CC=Cc1ccncc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JUN P05412 1/20 0.43
NFKB1 P19838 1/20 0.43
SNCA P37840 3/20 0.42
NPC1 O15118 4/20 0.41
MAPT P10636 4/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
CYP1A2 P05177 2/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 1/20 0.41
ALOX15 P16050 1/20 0.41
CASP1 P29466 1/20 0.41
HBB P68871 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
APP P05067 4/20 0.39

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
SCHEMBL15401295 1.00 JUN (0.43) JUNNFKB1SNCANPC1MAPT
SCHEMBL4010937 0.88 JUN (0.52) JUNNFKB1SNCANPC1MAPT
SCHEMBL15401259 0.88 JUN (0.52) JUNNFKB1SNCANPC1MAPT
SCHEMBL4010936 0.88 JUN (0.52) JUNNFKB1SNCANPC1MAPT
SCHEMBL4004416 0.85 JUN (0.54) JUNNFKB1SNCANPC1MAPT
SCHEMBL4004419 0.85 JUN (0.54) JUNNFKB1SNCANPC1MAPT
SCHEMBL7476502 0.77 JUN (0.48) JUNNFKB1SNCANPC1MAPT
SCHEMBL7476497 0.77 JUN (0.48) JUNNFKB1SNCANPC1MAPT
SCHEMBL96922 0.76 MAOB (0.70) NPC1MAPTRAB9ASMN1; SMN2CYP1A2
SCHEMBL96921 0.76 MAOB (0.70) NPC1MAPTRAB9ASMN1; SMN2CYP1A2

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-9669115-B2 Co-crystals and salts of contrast agents and imaging UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2017-06-06 US disclosed
US-20140004051-A1 CO-CRYSTALS AND SALTS OF CONTRAST AGENTS AND IMAGING UNIVERSITY OF IOWA RESEARCH FOUNDATION 2014-01-02 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-20140004051-A1 CO-CRYSTALS AND SALTS OF CONTRAST AGENTS AND IMAGING SLC10A1, RCC2, SSB JUN 1086/4885NFKB1 2184/4885SNCA 691/4885

“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.