SCHEMBL17830408

SCHEMBL17830408

CCc1cccc(C(C)C)c1/N=C(/N)c1ccc(C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 3/20 0.47
SCN2A Q99250 3/20 0.47
CYP2D6 P10635 1/20 0.44
HIF1A Q16665 1/20 0.44
L3MBTL1 Q9Y468 4/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
NOS3 P29474 2/20 0.36
NOS1 P29475 2/20 0.36
NOS2 P35228 2/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 2/20 0.36
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL12463999 0.83 HIF1A (0.49) SCN5ASCN2ACYP2D6HIF1AL3MBTL1
SCHEMBL2154331 0.83 HIF1A (0.49) SCN5ASCN2ACYP2D6HIF1AL3MBTL1
SCHEMBL15944591 0.75 GABRA1 (0.41) HIF1ALMNANOS3NOS1NOS2
SCHEMBL2154859 0.75 CYP2D6 (0.57) SCN5ASCN2ACYP2D6HIF1AL3MBTL1
SCHEMBL12463814 0.75 CYP2D6 (0.57) SCN5ASCN2ACYP2D6HIF1AL3MBTL1
SCHEMBL2155169 0.75 KMT2A (0.50) SCN5ASCN2ACYP2D6HIF1ALMNA
SCHEMBL12463793 0.75 KMT2A (0.50) SCN5ASCN2ACYP2D6HIF1ALMNA
SCHEMBL2153757 0.74 SCN2A (0.64) SCN5ASCN2ACYP2D6HIF1AL3MBTL1
SCHEMBL2153753 0.74 SCN2A (0.64) SCN5ASCN2ACYP2D6HIF1AL3MBTL1
Hydrochloric Acid SCHEMBL11772176 0.74 CYP2D6 (0.56) SCN5ASCN2ACYP2D6HIF1AL3MBTL1

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-9732106-B2 Phosphinyl amidine compounds, metal complexes, catalyst systems, and their use to oligomerize or polymerize olefins CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2017-08-15 US disclosed
US-9732106-B2 Phosphinyl amidine compounds, metal complexes, catalyst systems, and their use to oligomerize or polymerize olefins CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2017-08-15 US disclosed
US-20160168180-A1 Phosphinyl Amidine Compounds, Metal Complexes, Catalyst Systems, and Their Use to Oligomerize or Polymerize Olefins CHEVRON PHILLIPS CHEMICAL COMPANY LP 2016-06-16 US disclosed
US-20160168180-A1 Phosphinyl Amidine Compounds, Metal Complexes, Catalyst Systems, and Their Use to Oligomerize or Polymerize Olefins CHEVRON PHILLIPS CHEMICAL COMPANY LP 2016-06-16 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-20160168180-A1 Phosphinyl Amidine Compounds, Metal Complexes, Catalyst Systems, and Their Use to Oligomerize or Polymerize Olefins NIT2, NCLN, NPM1 SCN5A 2860/4885SCN2A 1538/4885CYP2D6 4819/4885

“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.