SCHEMBL778367

SCHEMBL778367

NCCCCCCNc1nc(N2CCCCC2)nc(N2CCOCC2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
LMNA P02545 3/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
HTT P42858 2/20 0.48
PIK3CD O00329 1/20 0.47
PIK3CA P42336 1/20 0.47
PIK3CB P42338 1/20 0.47
PIK3CG P48736 1/20 0.47
GAA P10253 2/20 0.46
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KMT5A Q9NQR1 1/20 0.45
GBA1 P04062 1/20 0.45
ALOX15 P16050 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 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
SCHEMBL13625150 0.83 HTT (0.55) TSHRLMNAMEN1KMT2AHTT
SCHEMBL8885835 0.83 TSHR (0.69) TSHRLMNAMEN1KMT2AHTT
SCHEMBL777910 0.83 SMN1; SMN2 (0.51) TSHRLMNAMEN1KMT2AMAPK1
SCHEMBL15836257 0.80 TSHR (0.58) TSHRLMNAMEN1KMT2AHTT
SCHEMBL28769756 0.80 LMNA (0.67) TSHRLMNAMEN1KMT2AALDH1A1
SCHEMBL4132657 0.80 LMNA (0.76) TSHRLMNAMEN1KMT2AALDH1A1
SCHEMBL14503351 0.78 LMNA (0.62) TSHRLMNAMEN1KMT2AHTT
SCHEMBL8057246 0.78 TSHR (0.64) TSHRLMNAMEN1KMT2AHTT
SCHEMBL21325617 0.77 LMNA (0.63) TSHRLMNAMEN1KMT2AALDH1A1
SCHEMBL5146996 0.76 LMNA (0.59) TSHRLMNAMEN1KMT2AHTT

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 5 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

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-20120071594-A1 POLYTRIAZINYL COMPOUNDS AS FLAME RETARDANTS AND LIGHT STABILIZERS PCBP1, PBRM1, TAF5 TSHR 1353/4885LMNA 2826/4885MEN1 4483/4885

“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.