SCHEMBL778188

SCHEMBL778188

C1CCN(c2nc(N3CCCCC3)nc(N3CCNCC3)n2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 1.00
USP2 O75604 1/20 1.00
TDP1 Q9NUW8 1/20 1.00
HRH1 P35367 1/20 0.95
CASP1 P29466 1/20 0.70
CASP4 P49662 1/20 0.70
CASP5 P51878 1/20 0.70
ALDH1A1 P00352 3/20 0.60
KDM4E B2RXH2 2/20 0.60
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
HTT P42858 1/20 0.52
RECQL P46063 1/20 0.52
ATM Q13315 1/20 0.52
HRH4 Q9H3N8 1/20 0.52
PDE4A P27815 1/20 0.51
PDE4B Q07343 1/20 0.51
PDE4C Q08493 1/20 0.51
PDE4D Q08499 1/20 0.51
MAPK1 P28482 2/20 0.48

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
SCHEMBL8542091 0.98 HRH1 (1.00) SMN1; SMN2USP2TDP1HRH1CASP1
SCHEMBL15922090 0.91 HRH1 (0.86) SMN1; SMN2USP2TDP1HRH1CASP1
SCHEMBL1229731 0.90 HRH1 (0.85) SMN1; SMN2USP2TDP1HRH1CASP1
SCHEMBL778177 0.90 USP2 (0.81) SMN1; SMN2USP2TDP1HRH1CASP1
SCHEMBL17351867 0.85 HRH1 (0.77) SMN1; SMN2USP2TDP1HRH1CASP1
SCHEMBL777905 0.85 USP2 (0.72) SMN1; SMN2USP2TDP1HRH1CASP1
SCHEMBL11208162 0.84 SMN1; SMN2 (0.71) SMN1; SMN2USP2TDP1HRH1ALDH1A1
SCHEMBL6505711 0.83 CASP1 (1.00) SMN1; SMN2USP2TDP1HRH1CASP1
SCHEMBL9492704 0.83 CASP1 (1.00) SMN1; SMN2USP2TDP1HRH1CASP1
SCHEMBL9730702 0.82 SMN1; SMN2 (0.68) SMN1; SMN2USP2TDP1HRH1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150057395-A1 Polytriazinyl Compounds as Flame Retardants and Light Stabilizers MCA TECHNOLOGIES GMBH (CH) 2015-02-26 US disclosed
US-20140011923-A1 Polytriazinyl Compounds as Flame Retardants and Light Stabilizers MCA TECHNOLOGIES GMBH (CH) 2014-01-09 US disclosed
US-20120245291-A1 Polytriazinyl Compounds as Flame Retardants and Light Stabilizers MCA TECHNOLOGIES GMBH (CH) 2012-09-27 US disclosed
US-8202924-B2 Polytriazinyl compounds as flame retardants and light stabilizers MCA TECHNOLOGIES GMBH (CH) 2012-06-19 US disclosed
US-20120071594-A1 POLYTRIAZINYL COMPOUNDS AS FLAME RETARDANTS AND LIGHT STABILIZERS MCA TECHNOLOGIES GMBH (CH) 2012-03-22 US disclosed
US-20090281215-A1 Polytriazinyl Compounds as Flame Retardants and Light Stabilizers MCA TECHNOLOGIES GMBH (CH) 2009-11-12 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 (2 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-20120071594-A1 POLYTRIAZINYL COMPOUNDS AS FLAME RETARDANTS AND LIGHT STABILIZERS PCBP1, PBRM1, TAF5 SMN1; SMN2 2588/4885USP2 1267/4885TDP1 473/4885
US-20090281215-A1 Polytriazinyl Compounds as Flame Retardants and Light Stabilizers PSMB5, POLL, F12 SMN1; SMN2 1885/4885USP2 807/4885TDP1 1726/4885

“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.